OEMutateResidueΒΆ

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.

This function mutates a single standard protein residue in the molecule to another standard amino acid residue specified by the OEResidueIndex namespace. The function works by deleting the residue sidechain and rebuilds the new residue using the OEBuildSidechains function, but only building the mutated sidechain.

Note

Explicit hydrogens are not added to the structure during the build processes.

bool OEMutateResidue(OEChem::OEMolBase &mol,
                     OEChem::OEResidue &res, unsigned resIdx)

See also