RDKit
Open-source cheminformatics and machine learning.
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Here is a list of all namespace functions with links to the namespace documentation for each function:
- s -
SamePDBResidue() :
RDKit
sanitizeMMFFMol() :
RDKit::MMFF
sanitizeMol() :
RDKit::MolOps
scoreHeteroHs() :
RDKit::MolStandardize::TautomerScoringFunctions
scoreRings() :
RDKit::MolStandardize::TautomerScoringFunctions
scoreSubstructs() :
RDKit::MolStandardize::TautomerScoringFunctions
scoreTautomer() :
RDKit::MolStandardize::TautomerScoringFunctions
SequenceToMol() :
RDKit
serialize() :
RDKit::MolStandardize::Operations
setACS1996Options() :
RDKit::MolDraw2DUtils
setAllowNontetrahedralChirality() :
RDKit::Chirality
setAngleDeg() :
MolTransforms
setAngleRad() :
MolTransforms
setAromaticity() :
RDKit::MolOps
setAtomAlias() :
RDKit
setAtomRLabel() :
RDKit
setAtomValue() :
RDKit
setBondLength() :
MolTransforms
setBondStereoFromDirections() :
RDKit::MolOps
setConjugation() :
RDKit::MolOps
setDarkMode() :
RDKit
setDihedralDeg() :
MolTransforms
setDihedralRad() :
MolTransforms
setDoubleBondNeighborDirections() :
RDKit::MolOps
setGenericQueriesFromProperties() :
RDKit::GenericGroups
setHybridization() :
RDKit::MolOps
setLabel() :
RDKit
setMMFFAromaticity() :
RDKit::MMFF
,
RDKit::MolOps
setMonochromeMode() :
RDKit
setNbrOrder() :
RDDepict
setRingSystemTemplates() :
RDDepict
setStereoForBond() :
RDKit::Chirality::detail
setStringDrawMode() :
RDKit::MolDraw2D_detail
setSupplementalSmilesLabel() :
RDKit
setTerminalAtomCoords() :
RDKit::MolOps
setTopolBounds() :
RDKit::DGeomHelpers
setTwoBitCell() :
RDKit::MMFF::Tools
,
RDKit::UFF::Tools
SetUnspecifiedBondTypes() :
SmilesParseOps
SetupNeighbourhood() :
RDKit::StructureCheck
setUseLegacyStereoPerception() :
RDKit::Chirality
SGroupWarnOrThrow() :
RDKit::SGroupParsing
shouldBeACrossedBond() :
RDKit::Chirality
simplifyEnhancedStereo() :
RDKit::Chirality
SLNQueryToMol() :
RDKit
SLNToMol() :
RDKit
SmartsToAtom() :
RDKit::v1
SmartsToBond() :
RDKit::v1
SmartsToMol() :
RDKit::v1
SmilesToAtom() :
RDKit::v1
SmilesToBond() :
RDKit::v1
SmilesToMol() :
RDKit::v1
sortMatchesByDegreeOfCoreSubstitution() :
RDKit
SplitMolecule() :
RDKit::MolHash
standardize() :
RDKit::MolStandardize::Operations
standardizeSmiles() :
RDKit::MolStandardize
StandardPDBResidueBondOrders() :
RDKit
startMol() :
RDKit::SLNParse
stereoParent() :
RDKit::MolStandardize
stereoParentInPlace() :
RDKit::MolStandardize
straightenDepiction() :
RDDepict
streamRead() :
RDKit
streamReadProp() :
RDKit
streamReadProps() :
RDKit
streamReadStringVec() :
RDKit
streamReadVec() :
RDKit
streamWrite() :
RDKit
streamWriteProp() :
RDKit
streamWriteProps() :
RDKit
streamWriteVec() :
RDKit
StringToAugmentedAtom() :
RDKit::StructureCheck
stringToBondType() :
RDKit::MolStandardize
stringToCharge() :
RDKit::MolStandardize
strip() :
RDKit::FileParserUtils
Strip() :
RDKit::MolHash
strip() :
RDKit
StripSmallFragments() :
RDKit::StructureCheck
stripSpacesAndCast() :
RDKit::FileParserUtils
StructuralFingerprintChemReaction() :
RDKit
SubstructLibraryCanSerialize() :
RDKit
SubstructMatch() :
RDKit::GeneralizedSubstruct
,
RDKit
SubstructMatchCustom() :
RDKit::FMCS
SubstructMatchCustomTable() :
RDKit::FMCS
substructMatchParamsToJSON() :
RDKit
superParent() :
RDKit::MolStandardize
superParentInPlace() :
RDKit::MolStandardize
SwapBytes() :
RDKit
symmetrizeSSSR() :
RDKit::MolOps
Generated on Mon Sep 30 2024 05:19:35 for RDKit by
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