Module rdmolops

Functions

AddHs
AssignAtomChiralCodes
AssignAtomChiralTagsFromStructure
AssignBondStereoCodes
AssignStereochemistry
DaylightFingerprint
DeleteSubstructs
FindAllPathsOfLengthN
FindAllSubgraphsOfLengthN
FindUniqueSubgraphsOfLengthN
GetAdjacencyMatrix
GetDistanceMatrix
GetFormalCharge
GetMolFrags
GetSSSR
GetSymmSSSR
Kekulize
LayeredFingerprint
MergeQueryHs
RDKFingerprint
RemoveHs
RemoveStereochemistry
ReplaceCore
ReplaceSidechains
ReplaceSubstructs
SanitizeMol
SetAromaticity
WedgeMolBonds