path: root/science/rdkit/pkg-plist

include/rdkit/CIPLabeler/CIPLabeler.h
include/rdkit/CIPLabeler/TooManyNodesException.h
include/rdkit/Catalogs/Catalog.h
include/rdkit/Catalogs/CatalogEntry.h
include/rdkit/Catalogs/CatalogParams.h
include/rdkit/ChemicalFeatures/ChemicalFeature.h
include/rdkit/ChemicalFeatures/FreeChemicalFeature.h
include/rdkit/DataManip/MetricMatrixCalc/MetricFuncs.h
include/rdkit/DataManip/MetricMatrixCalc/MetricMatrixCalc.h
include/rdkit/DataStructs/BitOps.h
include/rdkit/DataStructs/BitVect.h
include/rdkit/DataStructs/BitVectUtils.h
include/rdkit/DataStructs/BitVects.h
include/rdkit/DataStructs/DatastructsException.h
include/rdkit/DataStructs/DatastructsStreamOps.h
include/rdkit/DataStructs/DiscreteDistMat.h
include/rdkit/DataStructs/DiscreteValueVect.h
include/rdkit/DataStructs/ExplicitBitVect.h
include/rdkit/DataStructs/FPBReader.h
include/rdkit/DataStructs/MultiFPBReader.h
include/rdkit/DataStructs/SparseBitVect.h
include/rdkit/DataStructs/SparseIntVect.h
include/rdkit/DataStructs/base64.h
include/rdkit/DistGeom/BoundsMatrix.h
include/rdkit/DistGeom/ChiralSet.h
include/rdkit/DistGeom/ChiralViolationContrib.h
include/rdkit/DistGeom/DistGeomUtils.h
include/rdkit/DistGeom/DistViolationContrib.h
include/rdkit/DistGeom/FourthDimContrib.h
include/rdkit/DistGeom/TriangleSmooth.h
include/rdkit/Features/Feature.h
include/rdkit/ForceField/Contrib.h
include/rdkit/ForceField/ForceField.h
include/rdkit/ForceField/MMFF/AngleBend.h
include/rdkit/ForceField/MMFF/AngleConstraint.h
include/rdkit/ForceField/MMFF/BondStretch.h
include/rdkit/ForceField/MMFF/Contribs.h
include/rdkit/ForceField/MMFF/DistanceConstraint.h
include/rdkit/ForceField/MMFF/Nonbonded.h
include/rdkit/ForceField/MMFF/OopBend.h
include/rdkit/ForceField/MMFF/Params.h
include/rdkit/ForceField/MMFF/PositionConstraint.h
include/rdkit/ForceField/MMFF/StretchBend.h
include/rdkit/ForceField/MMFF/TorsionAngle.h
include/rdkit/ForceField/MMFF/TorsionConstraint.h
include/rdkit/ForceField/UFF/AngleBend.h
include/rdkit/ForceField/UFF/AngleConstraint.h
include/rdkit/ForceField/UFF/BondStretch.h
include/rdkit/ForceField/UFF/Contribs.h
include/rdkit/ForceField/UFF/DistanceConstraint.h
include/rdkit/ForceField/UFF/Inversion.h
include/rdkit/ForceField/UFF/Nonbonded.h
include/rdkit/ForceField/UFF/Params.h
include/rdkit/ForceField/UFF/PositionConstraint.h
include/rdkit/ForceField/UFF/TorsionAngle.h
include/rdkit/ForceField/UFF/TorsionConstraint.h
include/rdkit/Geometry/Grid3D.h
include/rdkit/Geometry/GridUtils.h
include/rdkit/Geometry/Transform.h
include/rdkit/Geometry/Transform2D.h
include/rdkit/Geometry/Transform3D.h
include/rdkit/Geometry/UniformGrid3D.h
include/rdkit/Geometry/Utils.h
include/rdkit/Geometry/point.h
include/rdkit/GraphMol/Abbreviations/Abbreviations.h
include/rdkit/GraphMol/Atom.h
include/rdkit/GraphMol/AtomIterators.h
include/rdkit/GraphMol/Bond.h
include/rdkit/GraphMol/BondIterators.h
include/rdkit/GraphMol/Canon.h
include/rdkit/GraphMol/ChemReactions/Enumerate/CartesianProduct.h
include/rdkit/GraphMol/ChemReactions/Enumerate/Enumerate.h
include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerateBase.h
include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerateTypes.h
include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerationPickler.h
include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerationStrategyBase.h
include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSample.h
include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h
include/rdkit/GraphMol/ChemReactions/PreprocessRxn.h
include/rdkit/GraphMol/ChemReactions/Reaction.h
include/rdkit/GraphMol/ChemReactions/ReactionFingerprints.h
include/rdkit/GraphMol/ChemReactions/ReactionParser.h
include/rdkit/GraphMol/ChemReactions/ReactionPickler.h
include/rdkit/GraphMol/ChemReactions/ReactionRunner.h
include/rdkit/GraphMol/ChemReactions/ReactionUtils.h
include/rdkit/GraphMol/ChemReactions/SanitizeRxn.h
include/rdkit/GraphMol/ChemTransforms/ChemTransforms.h
include/rdkit/GraphMol/ChemTransforms/MolFragmenter.h
include/rdkit/GraphMol/Chirality.h
include/rdkit/GraphMol/Conformer.h
include/rdkit/GraphMol/CoordGen.h
include/rdkit/GraphMol/Depictor/DepictUtils.h
include/rdkit/GraphMol/Depictor/EmbeddedFrag.h
include/rdkit/GraphMol/Depictor/RDDepictor.h
include/rdkit/GraphMol/Deprotect/Deprotect.h
include/rdkit/GraphMol/Descriptors/AUTOCORR2D.h
include/rdkit/GraphMol/Descriptors/AUTOCORR3D.h
include/rdkit/GraphMol/Descriptors/AtomFeat.h
include/rdkit/GraphMol/Descriptors/BCUT.h
include/rdkit/GraphMol/Descriptors/ConnectivityDescriptors.h
include/rdkit/GraphMol/Descriptors/CoulombMat.h
include/rdkit/GraphMol/Descriptors/Crippen.h
include/rdkit/GraphMol/Descriptors/Data3Ddescriptors.h
include/rdkit/GraphMol/Descriptors/EEM.h
include/rdkit/GraphMol/Descriptors/GETAWAY.h
include/rdkit/GraphMol/Descriptors/Lipinski.h
include/rdkit/GraphMol/Descriptors/MORSE.h
include/rdkit/GraphMol/Descriptors/MQN.h
include/rdkit/GraphMol/Descriptors/MolData3Ddescriptors.h
include/rdkit/GraphMol/Descriptors/MolDescriptors.h
include/rdkit/GraphMol/Descriptors/MolDescriptors3D.h
include/rdkit/GraphMol/Descriptors/MolSurf.h
include/rdkit/GraphMol/Descriptors/PBF.h
include/rdkit/GraphMol/Descriptors/PMI.h
include/rdkit/GraphMol/Descriptors/Property.h
include/rdkit/GraphMol/Descriptors/RDF.h
include/rdkit/GraphMol/Descriptors/RegisterDescriptor.h
include/rdkit/GraphMol/Descriptors/USRDescriptor.h
include/rdkit/GraphMol/Descriptors/WHIM.h
include/rdkit/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h
include/rdkit/GraphMol/DistGeomHelpers/Embedder.h
include/rdkit/GraphMol/FMCS/FMCS.h
include/rdkit/GraphMol/FMCS/Graph.h
include/rdkit/GraphMol/FileParsers/FileParserUtils.h
include/rdkit/GraphMol/FileParsers/FileParsers.h
include/rdkit/GraphMol/FileParsers/GeneralFileReader.h
include/rdkit/GraphMol/FileParsers/MolFileStereochem.h
include/rdkit/GraphMol/FileParsers/MolSupplier.h
include/rdkit/GraphMol/FileParsers/MolWriters.h
include/rdkit/GraphMol/FileParsers/MultithreadedMolSupplier.h
include/rdkit/GraphMol/FileParsers/MultithreadedSDMolSupplier.h
include/rdkit/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h
include/rdkit/GraphMol/FileParsers/PNGParser.h
include/rdkit/GraphMol/FileParsers/SequenceParsers.h
include/rdkit/GraphMol/FileParsers/SequenceWriters.h
include/rdkit/GraphMol/FilterCatalog/FilterCatalog.h
include/rdkit/GraphMol/FilterCatalog/FilterCatalogEntry.h
include/rdkit/GraphMol/FilterCatalog/FilterMatcherBase.h
include/rdkit/GraphMol/FilterCatalog/FilterMatchers.h
include/rdkit/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h
include/rdkit/GraphMol/Fingerprints/AtomPairGenerator.h
include/rdkit/GraphMol/Fingerprints/AtomPairs.h
include/rdkit/GraphMol/Fingerprints/FingerprintGenerator.h
include/rdkit/GraphMol/Fingerprints/FingerprintUtil.h
include/rdkit/GraphMol/Fingerprints/Fingerprints.h
include/rdkit/GraphMol/Fingerprints/MACCS.h
include/rdkit/GraphMol/Fingerprints/MHFP.h
include/rdkit/GraphMol/Fingerprints/MorganFingerprints.h
include/rdkit/GraphMol/Fingerprints/MorganGenerator.h
include/rdkit/GraphMol/Fingerprints/RDKitFPGenerator.h
include/rdkit/GraphMol/Fingerprints/TopologicalTorsionGenerator.h
include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h
include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h
include/rdkit/GraphMol/ForceFieldHelpers/FFConvenience.h
include/rdkit/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h
include/rdkit/GraphMol/ForceFieldHelpers/MMFF/Builder.h
include/rdkit/GraphMol/ForceFieldHelpers/MMFF/MMFF.h
include/rdkit/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h
include/rdkit/GraphMol/ForceFieldHelpers/UFF/Builder.h
include/rdkit/GraphMol/ForceFieldHelpers/UFF/UFF.h
include/rdkit/GraphMol/FragCatalog/FragCatGenerator.h
include/rdkit/GraphMol/FragCatalog/FragCatParams.h
include/rdkit/GraphMol/FragCatalog/FragCatalogEntry.h
include/rdkit/GraphMol/FragCatalog/FragCatalogUtils.h
include/rdkit/GraphMol/FragCatalog/FragFPGenerator.h
include/rdkit/GraphMol/GenericGroups/GenericGroups.h
include/rdkit/GraphMol/GraphMol.h
include/rdkit/GraphMol/MMPA/MMPA.h
include/rdkit/GraphMol/MolAlign/AlignMolecules.h
include/rdkit/GraphMol/MolAlign/O3AAlignMolecules.h
include/rdkit/GraphMol/MolBundle.h
include/rdkit/GraphMol/MolCatalog/MolCatalog.h
include/rdkit/GraphMol/MolCatalog/MolCatalogEntry.h
include/rdkit/GraphMol/MolCatalog/MolCatalogParams.h
include/rdkit/GraphMol/MolChemicalFeatures/FeatureParser.h
include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeature.h
include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h
include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h
include/rdkit/GraphMol/MolDraw2D/MolDraw2D.h
include/rdkit/GraphMol/MolDraw2D/MolDraw2DHelpers.h
include/rdkit/GraphMol/MolDraw2D/MolDraw2DJS.h
include/rdkit/GraphMol/MolDraw2D/MolDraw2DSVG.h
include/rdkit/GraphMol/MolDraw2D/MolDraw2DUtils.h
include/rdkit/GraphMol/MolDraw2D/MolDraw2Dwx.h
include/rdkit/GraphMol/MolEnumerator/LinkNode.h
include/rdkit/GraphMol/MolEnumerator/MolEnumerator.h
include/rdkit/GraphMol/MolHash/MolHash.h
include/rdkit/GraphMol/MolHash/nmmolhash.h
include/rdkit/GraphMol/MolInterchange/MolInterchange.h
include/rdkit/GraphMol/MolInterchange/details.h
include/rdkit/GraphMol/MolOps.h
include/rdkit/GraphMol/MolPickler.h
include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h
include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h
include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h
include/rdkit/GraphMol/MolStandardize/Charge.h
include/rdkit/GraphMol/MolStandardize/Fragment.h
include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h
include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h
include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h
include/rdkit/GraphMol/MolStandardize/Metal.h
include/rdkit/GraphMol/MolStandardize/MolStandardize.h
include/rdkit/GraphMol/MolStandardize/Normalize.h
include/rdkit/GraphMol/MolStandardize/Tautomer.h
include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h
include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h
include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h
include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h
include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h
include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h
include/rdkit/GraphMol/MolStandardize/Validate.h
include/rdkit/GraphMol/MolTransforms/MolTransforms.h
include/rdkit/GraphMol/MonomerInfo.h
include/rdkit/GraphMol/PartialCharges/GasteigerCharges.h
include/rdkit/GraphMol/PartialCharges/GasteigerParams.h
include/rdkit/GraphMol/PeriodicTable.h
include/rdkit/GraphMol/QueryAtom.h
include/rdkit/GraphMol/QueryBond.h
include/rdkit/GraphMol/QueryOps.h
include/rdkit/GraphMol/RDKitBase.h
include/rdkit/GraphMol/RDKitQueries.h
include/rdkit/GraphMol/RGroupDecomposition/RGroupDecomp.h
include/rdkit/GraphMol/ROMol.h
include/rdkit/GraphMol/RWMol.h
include/rdkit/GraphMol/ReducedGraphs/ReducedGraphs.h
include/rdkit/GraphMol/Resonance.h
include/rdkit/GraphMol/RingInfo.h
include/rdkit/GraphMol/Rings.h
include/rdkit/GraphMol/SLNParse/SLNAttribs.h
include/rdkit/GraphMol/SLNParse/SLNParse.h
include/rdkit/GraphMol/SLNParse/SLNParseOps.h
include/rdkit/GraphMol/SanitException.h
include/rdkit/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h
include/rdkit/GraphMol/ShapeHelpers/ShapeEncoder.h
include/rdkit/GraphMol/ShapeHelpers/ShapeUtils.h
include/rdkit/GraphMol/SmilesParse/SmartsWrite.h
include/rdkit/GraphMol/SmilesParse/SmilesParse.h
include/rdkit/GraphMol/SmilesParse/SmilesParseOps.h
include/rdkit/GraphMol/SmilesParse/SmilesWrite.h
include/rdkit/GraphMol/SmilesParse/primes.h
include/rdkit/GraphMol/StereoGroup.h
include/rdkit/GraphMol/Subgraphs/SubgraphUtils.h
include/rdkit/GraphMol/Subgraphs/Subgraphs.h
include/rdkit/GraphMol/SubstanceGroup.h
include/rdkit/GraphMol/Substruct/SubstructMatch.h
include/rdkit/GraphMol/Substruct/SubstructUtils.h
include/rdkit/GraphMol/SubstructLibrary/PatternFactory.h
include/rdkit/GraphMol/SubstructLibrary/SubstructLibrary.h
include/rdkit/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h
include/rdkit/GraphMol/TautomerQuery/TautomerQuery.h
include/rdkit/GraphMol/Trajectory/Snapshot.h
include/rdkit/GraphMol/Trajectory/Trajectory.h
include/rdkit/GraphMol/atomic_data.h
include/rdkit/GraphMol/details.h
include/rdkit/GraphMol/new_canon.h
include/rdkit/Numerics/Alignment/AlignPoints.h
include/rdkit/Numerics/Conrec.h
include/rdkit/Numerics/EigenSolvers/PowerEigenSolver.h
include/rdkit/Numerics/Matrix.h
include/rdkit/Numerics/Optimizer/BFGSOpt.h
include/rdkit/Numerics/SquareMatrix.h
include/rdkit/Numerics/SymmMatrix.h
include/rdkit/Numerics/Vector.h
include/rdkit/Query/AndQuery.h
include/rdkit/Query/EqualityQuery.h
include/rdkit/Query/GreaterEqualQuery.h
include/rdkit/Query/GreaterQuery.h
include/rdkit/Query/LessEqualQuery.h
include/rdkit/Query/LessQuery.h
include/rdkit/Query/NullQueryAlgebra.h
include/rdkit/Query/OrQuery.h
include/rdkit/Query/Query.h
include/rdkit/Query/QueryObjects.h
include/rdkit/Query/RangeQuery.h
include/rdkit/Query/SetQuery.h
include/rdkit/Query/XOrQuery.h
%%PYTHON%%include/rdkit/RDBoost/PySequenceHolder.h
%%PYTHON%%include/rdkit/RDBoost/Wrap.h
%%PYTHON%%include/rdkit/RDBoost/boost_numpy.h
%%PYTHON%%include/rdkit/RDBoost/list_indexing_suite.hpp
%%PYTHON%%include/rdkit/RDBoost/python.h
%%PYTHON%%include/rdkit/RDBoost/python_streambuf.h
include/rdkit/RDGeneral/BadFileException.h
include/rdkit/RDGeneral/BoostEndInclude.h
include/rdkit/RDGeneral/BoostStartInclude.h
include/rdkit/RDGeneral/ConcurrentQueue.h
include/rdkit/RDGeneral/Dict.h
include/rdkit/RDGeneral/Exceptions.h
include/rdkit/RDGeneral/FileParseException.h
include/rdkit/RDGeneral/Invariant.h
include/rdkit/RDGeneral/LocaleSwitcher.h
include/rdkit/RDGeneral/RDAny.h
include/rdkit/RDGeneral/RDConfig.h
include/rdkit/RDGeneral/RDExportMacros.h
include/rdkit/RDGeneral/RDLog.h
include/rdkit/RDGeneral/RDProps.h
include/rdkit/RDGeneral/RDThreads.h
include/rdkit/RDGeneral/RDValue-doublemagic.h
include/rdkit/RDGeneral/RDValue-taggedunion.h
include/rdkit/RDGeneral/RDValue.h
include/rdkit/RDGeneral/Ranking.h
include/rdkit/RDGeneral/StreamOps.h
include/rdkit/RDGeneral/export.h
include/rdkit/RDGeneral/hanoiSort.h
include/rdkit/RDGeneral/hash/detail/float_functions.hpp
include/rdkit/RDGeneral/hash/detail/hash_float.hpp
include/rdkit/RDGeneral/hash/extensions.hpp
include/rdkit/RDGeneral/hash/hash.hpp
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include/rdkit/RDGeneral/test.h
include/rdkit/RDGeneral/types.h
include/rdkit/RDGeneral/utils.h
include/rdkit/RDGeneral/versions.h
include/rdkit/RDStreams/streams.h
include/rdkit/RingDecomposerLib.h
%%LITTLE_ENDIAN%%include/rdkit/SimDivPickers/DistPicker.h
%%LITTLE_ENDIAN%%include/rdkit/SimDivPickers/HierarchicalClusterPicker.h
%%LITTLE_ENDIAN%%include/rdkit/SimDivPickers/LeaderPicker.h
%%LITTLE_ENDIAN%%include/rdkit/SimDivPickers/MaxMinPicker.h
lib/cmake/rdkit/rdkit-config-version.cmake
lib/cmake/rdkit/rdkit-config.cmake
lib/cmake/rdkit/rdkit-targets-%%CMAKE_BUILD_TYPE%%.cmake
lib/cmake/rdkit/rdkit-targets.cmake
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lib/libRDKitAlignment.so
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lib/libRDKitCIPLabeler.so
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lib/libRDKitCatalogs.so
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lib/libRDKitChemReactions.so
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lib/libRDKitFilterCatalog.so
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lib/libRDKitFingerprints.so
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