Andrius Merkys pushed to branch upstream at Debian Java Maintainers / openchemlib
Commits: 55e91143 by Andrius Merkys at 2026-02-23T04:11:02-05:00 New upstream version 2026.2.2+ds - - - - - 296 changed files: - .github/workflows/maven.yml - + .gitlab-ci.yml - pom.xml - src/main/java/com/actelion/research/calc/BinarySOM.java - src/main/java/com/actelion/research/calc/Matrix.java - src/main/java/com/actelion/research/calc/MatrixFunctions.java - src/main/java/com/actelion/research/calc/statistics/StatisticsOverview.java - src/main/java/com/actelion/research/chem/AbstractDepictor.java - src/main/java/com/actelion/research/chem/AromaticityResolver.java - src/main/java/com/actelion/research/chem/AtomTypeList.java - src/main/java/com/actelion/research/chem/Canonizer.java - src/main/java/com/actelion/research/chem/Coordinates.java - src/main/java/com/actelion/research/chem/ExtendedDepictor.java - src/main/java/com/actelion/research/chem/ExtendedMolecule.java - src/main/java/com/actelion/research/chem/ExtendedMoleculeFunctions.java - src/main/java/com/actelion/research/chem/IDCodeParserWithoutCoordinateInvention.java - src/main/java/com/actelion/research/chem/IsomericSmilesCreator.java - src/main/java/com/actelion/research/chem/MarkushStructure.java - src/main/java/com/actelion/research/chem/Molecule.java - src/main/java/com/actelion/research/chem/Molecule3D.java - src/main/java/com/actelion/research/chem/MolfileCreator.java - src/main/java/com/actelion/research/chem/MolfileParser.java - src/main/java/com/actelion/research/chem/MolfileV3Creator.java - src/main/java/com/actelion/research/chem/PeriodicTable.java - src/main/java/com/actelion/research/chem/RingCollection.java - − src/main/java/com/actelion/research/chem/SDFileMolecule.java - src/main/java/com/actelion/research/chem/SSSearcher.java - src/main/java/com/actelion/research/chem/SSSearcherWithIndex.java - src/main/java/com/actelion/research/chem/SVGDepictor.java - − src/main/java/com/actelion/research/chem/SimpleCanonizer.java - src/main/java/com/actelion/research/chem/SmilesAtomParser.java - − src/main/java/com/actelion/research/chem/SmilesCreator.java - src/main/java/com/actelion/research/chem/SmilesParser.java - src/main/java/com/actelion/research/chem/TextDrawingObject.java - src/main/java/com/actelion/research/chem/UniqueStringList.java - src/main/java/com/actelion/research/chem/alignment3d/KabschAlignment.java - src/main/java/com/actelion/research/chem/alignment3d/PheSAAlignmentOptimizer.java - src/main/java/com/actelion/research/chem/alignment3d/transformation/Transformation.java - src/main/java/com/actelion/research/chem/chemicalspaces/ptree/PharmTreeSynthonReactionHelper.java - src/main/java/com/actelion/research/chem/chemicalspaces/synthon/SynthonReactor.java - src/main/java/com/actelion/research/chem/conf/AtomAssembler.java - src/main/java/com/actelion/research/chem/conf/BondLengthSet.java - src/main/java/com/actelion/research/chem/conf/BondRotationHelper.java - src/main/java/com/actelion/research/chem/conf/Conformer.java - + src/main/java/com/actelion/research/chem/conf/HydrogenAssembler.java - src/main/java/com/actelion/research/chem/conf/SymmetryCorrectedRMSDCalculator.java - src/main/java/com/actelion/research/chem/conf/TorsionDB.java - src/main/java/com/actelion/research/chem/conf/torsionstrain/StatisticalTorsionPotential.java - src/main/java/com/actelion/research/chem/conf/torsionstrain/StatisticalTorsionTerm.java - src/main/java/com/actelion/research/chem/coords/CoordinateInventor.java - src/main/java/com/actelion/research/chem/coords/InventorDefaultTemplateList.java - src/main/java/com/actelion/research/chem/coords/InventorTemplate.java - src/main/java/com/actelion/research/chem/descriptor/DescriptorWeightsHelper.java - + src/main/java/com/actelion/research/chem/descriptor/flexophore/MDHFeature.java - src/main/java/com/actelion/research/chem/descriptor/flexophore/MolDistHist.java - src/main/java/com/actelion/research/chem/descriptor/flexophore/MolDistHistHelper.java - src/main/java/com/actelion/research/chem/descriptor/flexophore/MolDistHistViz.java - src/main/java/com/actelion/research/chem/descriptor/flexophore/MolDistHistVizHelper.java - src/main/java/com/actelion/research/chem/descriptor/flexophore/PPNode.java - src/main/java/com/actelion/research/chem/descriptor/flexophore/PPNodeVizHelper.java - src/main/java/com/actelion/research/chem/descriptor/flexophore/PPNodeVizMultCoord.java - src/main/java/com/actelion/research/chem/descriptor/flexophore/calculator/GeometryCalculator.java - src/main/java/com/actelion/research/chem/descriptor/flexophore/calculator/StructureCalculator.java - src/main/java/com/actelion/research/chem/descriptor/flexophore/completegraphmatcher/PPNodeSimilarity.java - src/main/java/com/actelion/research/chem/descriptor/flexophore/generator/AtomTypeMap.java - src/main/java/com/actelion/research/chem/descriptor/flexophore/generator/CreatorMolDistHistViz.java - src/main/java/com/actelion/research/chem/descriptor/flexophore/generator/ExceptionTimeOutConformerGeneration.java - src/main/java/com/actelion/research/chem/descriptor/flexophore/generator/InteractionTypeMap.java - src/main/java/com/actelion/research/chem/descriptor/flexophore/generator/SubFlexophoreExtractorHelper.java - src/main/java/com/actelion/research/chem/descriptor/flexophore/redgraph/SubGraphIndices.java - src/main/java/com/actelion/research/chem/docking/DockingEngine.java - src/main/java/com/actelion/research/chem/docking/DockingUtils.java - src/main/java/com/actelion/research/chem/docking/LigandPose.java - src/main/java/com/actelion/research/chem/docking/ScoringTask.java - src/main/java/com/actelion/research/chem/docking/receptorpharmacophore/NegativeReceptorImage.java - src/main/java/com/actelion/research/chem/docking/receptorpharmacophore/NegativeReceptorImageCreator.java - src/main/java/com/actelion/research/chem/docking/scoring/AbstractScoringEngine.java - src/main/java/com/actelion/research/chem/docking/scoring/ChemPLP.java - src/main/java/com/actelion/research/chem/docking/scoring/IdoScore.java - src/main/java/com/actelion/research/chem/docking/scoring/ProbeScanning.java - src/main/java/com/actelion/research/chem/docking/scoring/idoscore/InteractionTerm.java - src/main/java/com/actelion/research/chem/docking/scoring/plp/PLPTerm.java - src/main/java/com/actelion/research/chem/docking/shape/ShapeDocking.java - src/main/java/com/actelion/research/chem/forcefield/AbstractForceField.java - src/main/java/com/actelion/research/chem/forcefield/mmff/AngleBend.java - src/main/java/com/actelion/research/chem/forcefield/mmff/BondStretch.java - src/main/java/com/actelion/research/chem/forcefield/mmff/Electrostatic.java - src/main/java/com/actelion/research/chem/forcefield/mmff/EnergyTerm.java - src/main/java/com/actelion/research/chem/forcefield/mmff/ForceFieldMMFF94.java - src/main/java/com/actelion/research/chem/forcefield/mmff/MMFFExternalPositionConstraint.java - src/main/java/com/actelion/research/chem/forcefield/mmff/MMFFPositionConstraint.java - src/main/java/com/actelion/research/chem/forcefield/mmff/OutOfPlane.java - src/main/java/com/actelion/research/chem/forcefield/mmff/SortedPair.java - src/main/java/com/actelion/research/chem/forcefield/mmff/StretchBend.java - src/main/java/com/actelion/research/chem/forcefield/mmff/TorsionAngle.java - src/main/java/com/actelion/research/chem/forcefield/mmff/VanDerWaals.java - src/main/java/com/actelion/research/chem/forcefield/mmff/Vector3.java - + src/main/java/com/actelion/research/chem/interactions/InteractionPoint.java - src/main/java/com/actelion/research/chem/interactionstatistics/SplineFunction.java → src/main/java/com/actelion/research/chem/interactions/SplineFunction.java - src/main/java/com/actelion/research/chem/interactionstatistics/InteractionAtomTypeCalculator.java → src/main/java/com/actelion/research/chem/interactions/statistics/InteractionAtomTypeCalculator.java - src/main/java/com/actelion/research/chem/interactionstatistics/InteractionDistanceStatistics.java → src/main/java/com/actelion/research/chem/interactions/statistics/InteractionDistanceStatistics.java - src/main/java/com/actelion/research/chem/interactionstatistics/InteractionSimilarityTable.java → src/main/java/com/actelion/research/chem/interactions/statistics/InteractionSimilarityTable.java - src/main/java/com/actelion/research/chem/io/CompoundFileHelper.java - src/main/java/com/actelion/research/chem/io/CompoundTableConstants.java - src/main/java/com/actelion/research/chem/io/Mol2FileParser.java - src/main/java/com/actelion/research/chem/io/ODEFileParser.java - src/main/java/com/actelion/research/chem/io/RXNFileParser.java - src/main/java/com/actelion/research/chem/io/pdb/converter/AminoAcids.java → src/main/java/com/actelion/research/chem/io/pdb/calc/AminoAcids.java - + src/main/java/com/actelion/research/chem/io/pdb/calc/BondOrderCalculator.java - src/main/java/com/actelion/research/chem/io/pdb/converter/BondsCalculator.java → src/main/java/com/actelion/research/chem/io/pdb/calc/BondsCalculator.java - src/main/java/com/actelion/research/chem/io/pdb/converter/GeometryCalculator.java → src/main/java/com/actelion/research/chem/io/pdb/calc/GeometryCalculator.java - + src/main/java/com/actelion/research/chem/io/pdb/calc/GraphWalker.java - src/main/java/com/actelion/research/chem/io/pdb/converter/MoleculeGrid.java → src/main/java/com/actelion/research/chem/io/pdb/calc/MoleculeGrid.java - − src/main/java/com/actelion/research/chem/io/pdb/converter/BondCalculatorException.java - + src/main/java/com/actelion/research/chem/io/pdb/mmcif/MMCIFBlock.java - + src/main/java/com/actelion/research/chem/io/pdb/mmcif/MMCIFElement.java - + src/main/java/com/actelion/research/chem/io/pdb/mmcif/MMCIFParser.java - + src/main/java/com/actelion/research/chem/io/pdb/mmcif/MMCIFTable.java - src/main/java/com/actelion/research/chem/io/pdb/parser/AtomRecord.java - src/main/java/com/actelion/research/chem/io/pdb/parser/ModelParser.java - src/main/java/com/actelion/research/chem/io/pdb/parser/PDBCoordEntryFile.java → src/main/java/com/actelion/research/chem/io/pdb/parser/PDBFileEntry.java - src/main/java/com/actelion/research/chem/io/pdb/parser/PDBFileParser.java - src/main/java/com/actelion/research/chem/io/pdb/parser/ProteinSynthesizer.java - src/main/java/com/actelion/research/chem/io/pdb/parser/Residue.java - src/main/java/com/actelion/research/chem/io/pdb/parser/StructureAssembler.java - src/main/java/com/actelion/research/chem/mcs/MCS.java - src/main/java/com/actelion/research/chem/optimization/Lnsrch.java - src/main/java/com/actelion/research/chem/phesa/DescriptorHandlerShape.java - src/main/java/com/actelion/research/chem/phesa/EvaluableOverlap.java - src/main/java/com/actelion/research/chem/phesa/Gaussian3D.java - src/main/java/com/actelion/research/chem/phesa/MolecularVolume.java - src/main/java/com/actelion/research/chem/phesa/PheSAAlignment.java - src/main/java/com/actelion/research/chem/phesa/PheSAMolecule.java - src/main/java/com/actelion/research/chem/phesa/ShapeVolume.java - src/main/java/com/actelion/research/chem/phesa/VolumeGaussian.java - src/main/java/com/actelion/research/chem/phesa/pharmacophore/PharmacophoreCalculator.java - src/main/java/com/actelion/research/chem/phesa/pharmacophore/pp/AcceptorPoint.java - src/main/java/com/actelion/research/chem/phesa/pharmacophore/pp/AliphaticPoint.java - src/main/java/com/actelion/research/chem/phesa/pharmacophore/pp/AromRingPoint.java - src/main/java/com/actelion/research/chem/phesa/pharmacophore/pp/ChargePoint.java - src/main/java/com/actelion/research/chem/phesa/pharmacophore/pp/DonorPoint.java - src/main/java/com/actelion/research/chem/phesa/pharmacophore/pp/ExitVectorPoint.java - src/main/java/com/actelion/research/chem/phesaflex/EvaluableFlexibleOverlap.java - src/main/java/com/actelion/research/chem/potentialenergy/EmpiricalLigandStrain.java - src/main/java/com/actelion/research/chem/prediction/CLogPPredictor.java - src/main/java/com/actelion/research/chem/prediction/MolecularPropertyHelper.java - src/main/java/com/actelion/research/chem/properties/complexity/MolecularComplexityCalculator.java - src/main/java/com/actelion/research/chem/reaction/MoleculeAutoMapper.java - src/main/java/com/actelion/research/chem/reaction/RSSSearcher.java - src/main/java/com/actelion/research/chem/reaction/Reaction.java - src/main/java/com/actelion/research/chem/reaction/ReactionArrow.java - src/main/java/com/actelion/research/chem/reaction/ReactionEncoder.java - src/main/java/com/actelion/research/chem/reaction/ReactionIndexer.java - src/main/java/com/actelion/research/chem/reaction/ReactionSearch.java - src/main/java/com/actelion/research/chem/reaction/Reactor.java - src/main/java/com/actelion/research/chem/reaction/SRSearcher.java - src/main/java/com/actelion/research/chem/reaction/TransformerRule.java - src/main/java/com/actelion/research/chem/reaction/mapping/ChemicalRule.java - src/main/java/com/actelion/research/chem/reaction/mapping/ChemicalRuleEnhancedReactionMapper.java - src/main/java/com/actelion/research/chem/reaction/mapping/MappingScorer.java - src/main/java/com/actelion/research/chem/reaction/mapping/ReactionCenterMapper.java - src/main/java/com/actelion/research/chem/reaction/mapping/RootAtomPairSource.java - src/main/java/com/actelion/research/chem/reaction/mapping/SimilarityGraphBasedReactionMapper.java - src/main/java/com/actelion/research/chem/sar/SARScaffoldGroup.java - src/main/java/com/actelion/research/chem/shredder/Fragment3D.java - src/main/java/com/actelion/research/chem/shredder/FragmentGeometry3D.java - src/main/java/com/actelion/research/chem/shredder/Fragmenter3D.java - src/main/java/com/actelion/research/chem/shredder/MoleculeShredder.java - − src/main/java/com/actelion/research/gui/JAtomLabelDialog.java - − src/main/java/com/actelion/research/gui/JAtomQueryFeatureDialog.java - − src/main/java/com/actelion/research/gui/JBondQueryFeatureDialog.java - src/main/java/com/actelion/research/gui/JChemistryView.java - − src/main/java/com/actelion/research/gui/JDrawArea.java - − src/main/java/com/actelion/research/gui/JDrawDialog.java - − src/main/java/com/actelion/research/gui/JDrawPanel.java - − src/main/java/com/actelion/research/gui/JDrawToolbar.java - src/main/java/com/actelion/research/gui/JStructureView.java - src/main/java/com/actelion/research/chem/io/pdb/converter/AminoAcidLabeled.java → src/main/java/com/actelion/research/gui/clipboard/ClipboardFormat.java - src/main/java/com/actelion/research/gui/clipboard/ClipboardHandler.java - src/main/java/com/actelion/research/gui/clipboard/NativeClipboardAccessor.java - − src/main/java/com/actelion/research/gui/dnd/SDFileMoleculeDropAdapter.java - − src/main/java/com/actelion/research/gui/dnd/SDFileMoleculeTransferable.java - src/main/java/com/actelion/research/gui/editor/AtomQueryFeatureDialogBuilder.java - src/main/java/com/actelion/research/gui/editor/BondQueryFeatureDialogBuilder.java - src/main/java/com/actelion/research/gui/editor/CustomAtomDialogBuilder.java - + src/main/java/com/actelion/research/gui/editor/DialogBuilderCallback.java - src/main/java/com/actelion/research/gui/editor/FXEditorToolbar.java - src/main/java/com/actelion/research/gui/editor/GenericEditorArea.java - src/main/java/com/actelion/research/gui/editor/GenericEditorToolbar.java - src/main/java/com/actelion/research/gui/editor/TextDrawingObjectDialogBuilder.java - src/main/java/com/actelion/research/gui/fx/FXDialog.java - src/main/java/com/actelion/research/gui/fx/FXKeyHandler.java - src/main/java/com/actelion/research/gui/generic/GenericDialog.java - + src/main/java/com/actelion/research/gui/generic/GenericDialogCallback.java - src/main/java/com/actelion/research/gui/generic/GenericKeyEvent.java - src/main/java/com/actelion/research/gui/swing/SwingDialog.java - src/main/java/com/actelion/research/gui/swing/SwingKeyHandler.java - src/main/java/com/actelion/research/io/StringReadChannel.java - − src/main/java/com/actelion/research/jfx/gui/GraphicsContextImpl.java - − src/main/java/com/actelion/research/jfx/gui/chem/JFXCanvasDepictor.java - src/main/java/com/actelion/research/jfx/gui/chem/MoleculeViewSkin.java - − src/main/java/com/actelion/research/share/gui/Arrow.java - − src/main/java/com/actelion/research/share/gui/ChemistryGeometryHelper.java - − src/main/java/com/actelion/research/share/gui/Delegator.java - − src/main/java/com/actelion/research/share/gui/DialogResult.java - − src/main/java/com/actelion/research/share/gui/DrawConfig.java - − src/main/java/com/actelion/research/share/gui/Polygon.java - − src/main/java/com/actelion/research/share/gui/editor/ImageProvider.java - − src/main/java/com/actelion/research/share/gui/editor/Model.java - − src/main/java/com/actelion/research/share/gui/editor/actions/Action.java - − src/main/java/com/actelion/research/share/gui/editor/actions/AddRingAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/ArrowAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/AtomHighlightAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/AtomMapAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/BondBaseAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/BondHighlightAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/ChangeAtomAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/ChangeAtomPropertiesAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/ChangeChargeAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/CleanAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/ClearAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/CommandAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/CopyAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/CutAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/DeleteAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/DownBondAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/DrawAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/NewBondAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/NewChainAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/PasteAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/SelectionAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/ToolbarSelectionChange.java - − src/main/java/com/actelion/research/share/gui/editor/actions/UndoAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/UnknownParityAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/UpBondAction.java - − src/main/java/com/actelion/research/share/gui/editor/actions/ZoomRotateAction.java - − src/main/java/com/actelion/research/share/gui/editor/chem/AbstractExtendedDepictor.java - − src/main/java/com/actelion/research/share/gui/editor/chem/DrawingObject.java - − src/main/java/com/actelion/research/share/gui/editor/chem/IArrow.java - − src/main/java/com/actelion/research/share/gui/editor/chem/IDepictor.java - − src/main/java/com/actelion/research/share/gui/editor/chem/IDrawingObject.java - − src/main/java/com/actelion/research/share/gui/editor/chem/IReactionArrow.java - − src/main/java/com/actelion/research/share/gui/editor/dialogs/IAtomPropertiesDialog.java - − src/main/java/com/actelion/research/share/gui/editor/dialogs/IAtomQueryFeaturesDialog.java - − src/main/java/com/actelion/research/share/gui/editor/dialogs/IBondQueryFeaturesDialog.java - − src/main/java/com/actelion/research/share/gui/editor/dialogs/IDialog.java - − src/main/java/com/actelion/research/share/gui/editor/geom/GeomFactory.java - − src/main/java/com/actelion/research/share/gui/editor/geom/IColor.java - − src/main/java/com/actelion/research/share/gui/editor/geom/ICursor.java - − src/main/java/com/actelion/research/share/gui/editor/geom/IDrawContext.java - − src/main/java/com/actelion/research/share/gui/editor/geom/IPolygon.java - − src/main/java/com/actelion/research/share/gui/editor/geom/IRectangle2D.java - − src/main/java/com/actelion/research/share/gui/editor/geom/StrokeLineCap.java - − src/main/java/com/actelion/research/share/gui/editor/geom/StrokeLineJoin.java - − src/main/java/com/actelion/research/share/gui/editor/io/IKeyCode.java - − src/main/java/com/actelion/research/share/gui/editor/io/IKeyEvent.java - − src/main/java/com/actelion/research/share/gui/editor/io/IMouseEvent.java - − src/main/java/com/actelion/research/share/gui/editor/listeners/IChangeListener.java - − src/main/java/com/actelion/research/share/gui/editor/listeners/IValidationListener.java - src/main/java/com/actelion/research/util/ArrayUtils.java - src/main/java/com/actelion/research/util/BinaryEncoder.java - src/main/java/com/actelion/research/util/BitUtils.java - src/main/java/com/actelion/research/util/CommandLineParser.java - src/main/java/com/actelion/research/util/ConstantsDWAR.java - src/main/java/com/actelion/research/util/DoubleFormat.java - src/main/java/com/actelion/research/util/FastSpline.java - src/main/java/com/actelion/research/util/Formatter.java - src/main/java/com/actelion/research/util/IO.java - src/main/java/com/actelion/research/util/ListUtils.java - src/main/java/com/actelion/research/util/Pipeline.java - src/main/java/com/actelion/research/util/SizeOf.java - src/main/java/com/actelion/research/util/Sketch.java - src/main/java/com/actelion/research/util/SortedList.java - src/main/java/com/actelion/research/util/StringFunctions.java - src/main/java/com/actelion/research/util/TimeDelta.java - src/main/java/com/actelion/research/util/datamodel/DoubleArray.java - src/main/java/com/actelion/research/util/datamodel/IntArray.java - src/main/java/com/actelion/research/util/datamodel/IntVec.java - src/main/java/org/openmolecules/chem/conf/gen/BaseConformer.java - src/main/java/org/openmolecules/chem/conf/gen/ConformerGenerator.java - src/main/java/org/openmolecules/chem/conf/gen/RigidFragment.java - src/main/java/org/openmolecules/chem/conf/gen/RigidFragmentProvider.java - src/main/java/org/openmolecules/chem/conf/gen/RotatableBond.java - src/main/java/org/openmolecules/chem/conf/gen/TorsionSetStrategy.java - src/main/java/org/openmolecules/chem/conf/gen/TorsionSetStrategyAdaptiveRandom.java - src/main/java/org/openmolecules/chem/conf/gen/TorsionSetStrategyLikelySystematic.java - src/main/java/org/openmolecules/chem/conf/gen/TorsionSetStrategyRandom.java - src/main/java/org/openmolecules/chem/conf/so/ConformationSelfOrganizer.java - src/main/java/smile/math/Math.java - src/main/resources/html/editor/editor.html - src/main/resources/resources/cod/bondLengthData.txt - src/main/resources/resources/cod/torsionAngle.txt - src/main/resources/resources/cod/torsionBins.txt - src/main/resources/resources/cod/torsionFrequency.txt - src/main/resources/resources/cod/torsionID.txt - src/main/resources/resources/cod/torsionRange.txt The diff was not included because it is too large. View it on GitLab: https://salsa.debian.org/java-team/openchemlib/-/commit/55e911439cfa90ea58615a22d3de0077626b0753 -- View it on GitLab: https://salsa.debian.org/java-team/openchemlib/-/commit/55e911439cfa90ea58615a22d3de0077626b0753 You're receiving this email because of your account on salsa.debian.org.
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