compute_fnat_fast

StructureSimilarity.compute_fnat_fast(cutoff=5)

Fast method to cmpute the FNAT of the conformation.

Fnat is the fraction of reference interface contacts preserved in the interface of decoy. The interface is defined as any pair of heavy atoms from two chains within 5Å of each other.

Parameters

cutoff (int, optional) – cutoff for the contact atoms

Returns

float – FNAT value

Raises

ValueError – if the decoy file is not found

See also

compute_fnat_pdb2sql()