OEResidueToString

std::string OEResidueToString(const OEChem::OEResidue &res)

Returns the string representation of the given residue in the following format:

<RES NAME> <RES NUMBER> <INSERT CODE> <CHAIN ID> <FRAG NUMBER> <ALT>

Examples:

ASP 381   A 1
72L 301   A 5
THR 60 A B 2
THR 9   A 1 A

See also