compute_residue_pairs_ref

StructureSimilarity.compute_residue_pairs_ref(cutoff=5.0, save_file=True, filename=None)[source]

Compute the residue pair on the reference conformation.

Parameters
  • cutoff (float, optional) – cutoff for the contact atoms

  • save_file (bool, optional) – save the file containing the residue pairs

  • filename (None, optional) – filename

Returns

dict – defintition of the residue pairs