Module Chem
Classes
BondDir
BondStereo
BondType
ChiralType
HybridizationType
Functions
AddHs
AssignAtomChiralCodes
AssignBondStereoCodes
CanonSmiles
DaylightFingerprint
DeleteSubstructs
DisplaySmartsMatch
FindAllPathsOfLengthN
FindAllSubgraphsOfLengthN
FindMolChiralCenters
FindUniqueSubgraphsOfLengthN
GetAdjacencyMatrix
GetDistanceMatrix
GetFormalCharge
GetMolFrags
GetPeriodicTable
GetSSSR
GetSmartsMatchCDXML
GetSymmSSSR
Kekulize
MolFromMolBlock
MolFromMolFile
MolFromSmarts
MolFromSmiles
MolFromTPLBlock
MolFromTPLFile
MolToMolBlock
MolToSmarts
MolToSmiles
MolToTPLBlock
MolToTPLFile
QuickSmartsMatch
RDKFingerprint
RemoveHs
ReplaceCore
ReplaceSidechains
ReplaceSubstructs
SanitizeMol
SmilesMolSupplierFromText
SmilesRoundtrip
SupplierFromFilename
WedgeMolBonds
tossit
Variables
__warningregistry__
[hide private]