OEGetPartialResiduesΒΆ

Attention

PRELIMINARY-IMAGE This is a preliminary API until 2020.Apr and may be improved based on user feedback. It is currently available in C++ and Python.

bool OEGetPartialResidues(std::vector<OEChem::OEResidue> &partialResidues,
                          const OEChem::OEMolBase &mol)

This function looks through the molecule and generates a list of standard protein residues with partial sidechains, which can then be passed to OEBuildSidechains

See also