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