OEGetAtomMatchResidueIDsΒΆ

std::vector<OEAtomMatchResidueID> OEGetAtomMatchResidueIDs(const OEChem::OEMolBase& mol);

Retrieves the following properties for each residue in the molecule:

  • residue name
  • residue number
  • insertion code
  • chain ID
  • fragment number
  • alternate location.