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.