Module Chem
Functions
AddHs
AssignAtomChiralCodes
AssignAtomChiralTagsFromStructure
AssignBondStereoCodes
AssignStereochemistry
CanonSmiles
DaylightFingerprint
DeleteSubstructs
DisplaySmartsMatch
FindAllPathsOfLengthN
FindAllSubgraphsOfLengthN
FindMolChiralCenters
FindUniqueSubgraphsOfLengthN
GetAdjacencyMatrix
GetDistanceMatrix
GetFormalCharge
GetMolFrags
GetPeriodicTable
GetSSSR
GetSmartsMatchCDXML
GetSymmSSSR
Kekulize
LayeredFingerprint
MergeQueryHs
MolFromMol2Block
MolFromMol2File
MolFromMolBlock
MolFromMolFile
MolFromSmarts
MolFromSmiles
MolFromTPLBlock
MolFromTPLFile
MolToMolBlock
MolToSmarts
MolToSmiles
MolToTPLBlock
MolToTPLFile
QuickSmartsMatch
RDKFingerprint
RemoveHs
RemoveStereochemistry
ReplaceCore
ReplaceSidechains
ReplaceSubstructs
SanitizeMol
SetAromaticity
SmilesMolSupplierFromText
SmilesRoundtrip
SupplierFromFilename
WedgeMolBonds
tossit
[hide private]