OEIsPeptide

Attention

This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.

OEIsPeptide(arg1: Union[OEGraphMol,OEMol,OEQMol],
            monomers: OEMonomerSet, ratio: float = 0.8) -> bool

Determines whether the given molecule can be classified as a peptide with respect to the specified monomers. The function identifies backbone peptide monomers within the molecule to determine which atoms may belong to the peptide. If the ratio of matched atoms to total heavy atoms exceeds the specified threshold, the function returns true.

mol

The input molecule (OEMolBase).

monomers

The monomer set (OEMonomerSet) that stores the monomers that are used to interpret the HELM string.

ratio

Specifies the minimum heavy atoms to matched monomer atoms ratio required for a molecule to be considered a peptide. The ratio must fall within the range [0.25,0.90].