rdkit.Chem.MolKey package

Submodules

• rdkit.Chem.MolKey.InchiInfo module
  • InchiInfo
    • InchiInfo.get_mobile_h()
    • InchiInfo.get_sp3_stereo()
• rdkit.Chem.MolKey.MolKey module
  • BadMoleculeException
  • CheckCTAB()
  • ErrorBitsToText()
  • GetInchiForCTAB()
  • GetKeyForCTAB()
  • InchiResult
    • InchiResult.error
    • InchiResult.fixed_ctab
    • InchiResult.inchi
  • MolIdentifierException
  • MolKeyResult
    • MolKeyResult.error
    • MolKeyResult.fixed_ctab
    • MolKeyResult.inchi
    • MolKeyResult.mol_key
    • MolKeyResult.stereo_code
    • MolKeyResult.stereo_comment
  • initStruchk()

Module contents