RDKit
Open-source cheminformatics and machine learning.
Loading...
Searching...
No Matches
Here is a list of all namespace members with links to the namespace documentation for each member:
- s -
SamePDBResidue() :
RDKit
SANITIZE_ADJUSTHS :
RDKit::MolOps
SANITIZE_ALL :
RDKit::MolOps
SANITIZE_CLEANUP :
RDKit::MolOps
SANITIZE_CLEANUP_ORGANOMETALLICS :
RDKit::MolOps
SANITIZE_CLEANUPATROPISOMERS :
RDKit::MolOps
SANITIZE_CLEANUPCHIRALITY :
RDKit::MolOps
SANITIZE_FINDRADICALS :
RDKit::MolOps
SANITIZE_KEKULIZE :
RDKit::MolOps
SANITIZE_NONE :
RDKit::MolOps
SANITIZE_PROPERTIES :
RDKit::MolOps
SANITIZE_SETAROMATICITY :
RDKit::MolOps
SANITIZE_SETCONJUGATION :
RDKit::MolOps
SANITIZE_SETHYBRIDIZATION :
RDKit::MolOps
SANITIZE_SYMMRINGS :
RDKit::MolOps
SanitizeFlags :
RDKit::MolOps
sanitizeMMFFMol() :
RDKit::MMFF
sanitizeMol() :
RDKit::MolOps
scoreHeteroHs() :
RDKit::MolStandardize::TautomerScoringFunctions
scoreRings() :
RDKit::MolStandardize::TautomerScoringFunctions
scoreSubstructs() :
RDKit::MolStandardize::TautomerScoringFunctions
scoreTautomer() :
RDKit::MolStandardize::TautomerScoringFunctions
seed :
RDKit::MHFPFingerprints::FNV
SequenceToMol() :
RDKit
serialize() :
RDKit::MolStandardize::Operations
SerializeOperation :
RDKit::MolStandardize::Operations
SERIALIZING_OUTPUT :
RDKit::MolStandardize
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
SgroupBothInAndNotInAtomSet :
RDKit
sGroupConnectTypes :
RDKit::SubstanceGroupChecks
SgroupInAtomSet :
RDKit
SgroupNotInAtomSet :
RDKit
sGroupSubtypes :
RDKit::SubstanceGroupChecks
sGroupTypes :
RDKit::SubstanceGroupChecks
SGroupWarnOrThrow() :
RDKit::SGroupParsing
shortDashes :
RDKit
shouldBeACrossedBond() :
RDKit::Chirality
SIDECHAIN_RLABELS :
RDKit
simplifyEnhancedStereo() :
RDKit::Chirality
SINGLE :
RDKit::StructureCheck
SINGLE_AROMATIC :
RDKit::StructureCheck
SINGLE_DOUBLE :
RDKit::StructureCheck
SINGLET :
RDKit::StructureCheck
SLNQueryToMol() :
RDKit
SLNToMol() :
RDKit
SMALL_DOUBLE :
RDKit
SMARTS_MATCH_NAME_DEFAULT :
RDKit
SmartsToAtom() :
RDKit::v1
SmartsToBond() :
RDKit::v1
SmartsToMol() :
RDKit::v1
SmilesMolPair :
RDKit::MolStandardize
smilesSymbol :
RDKit::common_properties
smilesTag :
RDKit::PNGData
SmilesTautomerMap :
RDKit::MolStandardize
SmilesTautomerPair :
RDKit::MolStandardize
SmilesToAtom() :
RDKit::v1
SmilesToBond() :
RDKit::v1
SmilesToMol() :
RDKit::v1
SnapshotVect :
RDKit
sortMatchesByDegreeOfCoreSubstitution() :
RDKit
SplitMolecule() :
RDKit::MolHash
splitMolecule() :
RDKit::SynthonSpaceSearch::details
srETKDGv3 :
RDKit::DGeomHelpers
sruSgroupConnectChoices :
RDKit
STANDARDIZATION :
RDKit::MolStandardize
standardizationSteps :
RDKit::MolStandardize::Operations
standardize() :
RDKit::MolStandardize::Operations
standardizeSmiles() :
RDKit::MolStandardize
StandardPDBResidueBondOrders() :
RDKit
startMol() :
RDKit::SLNParse
STEREO_BOND_AT_NON_STEREO_ATOM :
RDKit::StructureCheck
stereoBondlookup :
RDKit::MolInterchange
StereoDescriptor :
RDKit::Chirality
StereoGroupAbsOptions :
RDKit
stereoGrouplookup :
RDKit::MolInterchange
StereoGroupType :
RDKit
stereoParent() :
RDKit::MolStandardize
stereoParentInPlace() :
RDKit::MolStandardize
StereoSpecified :
RDKit::Chirality
StereoType :
RDKit::Chirality
STR_UINT_MAP :
RDKit
STR_UINT_MAP_CI :
RDKit
STR_VECT :
RDKit
STR_VECT_CI :
RDKit
STR_VECT_I :
RDKit
straightenDepiction() :
RDDepict
streamRead() :
RDKit
streamReadProp() :
RDKit
streamReadProps() :
RDKit
streamReadStringVec() :
RDKit
streamReadVec() :
RDKit
streamWrite() :
RDKit
streamWriteProp() :
RDKit
streamWriteProps() :
RDKit
streamWriteVec() :
RDKit
Strict :
RDKit::Descriptors
StrictLinkages :
RDKit::Descriptors
StrictRingFusion :
RDKit
STRING_PROPS :
RDKit
StringTag :
RDKit::DTags
,
RDKit::RDTypeTag
StringToAugmentedAtom() :
RDKit::StructureCheck
stringToBondType() :
RDKit::MolStandardize
stringToCharge() :
RDKit::MolStandardize
strip() :
RDKit::FileParserUtils
Strip() :
RDKit::MolHash
strip() :
RDKit
StripSmallFragments() :
RDKit::StructureCheck
stripSpacesAndCast() :
RDKit::FileParserUtils
StripType :
RDKit::MolHash
StructuralFingerprintChemReaction() :
RDKit
substructLayers :
RDKit
SubstructLibraryCanSerialize() :
RDKit
SubstructMatch() :
RDKit::GeneralizedSubstruct
,
RDKit
SubstructMatchCustom() :
RDKit::FMCS
SubstructMatchCustomTable() :
RDKit::FMCS
substructMatchParamsToJSON() :
RDKit
superParent() :
RDKit::MolStandardize
superParentInPlace() :
RDKit::MolStandardize
supportedCompressionFormats :
RDKit::GeneralMolSupplier
supportedFileFormats :
RDKit::GeneralMolSupplier
SwapBytes() :
RDKit
symmetrizeSSSR() :
RDKit::MolOps
Generated on Sun Dec 22 2024 04:42:58 for RDKit by
1.9.8