opencadd.structure.superposition.engines.mmligner.MMLignerAligner

class opencadd.structure.superposition.engines.mmligner.MMLignerAligner(executable=None, protein_selector='protein')[source]

Wraps MMLigner to superpose two protein structures.

Parameters

  • executable (str) – Path to the MMLigner executable file

  • protein_selection (str, optional, default=protein) – MMLigner will not accept residues beyond the 20 standard AA.