compute_CapriClass

static StructureSimilarity.compute_CapriClass(fnat, lrmsd, irmsd, system='protein-protein')[source]

Compute CAPRI ranking classes.

Note

Criteria of CAPRI classes: https://doi.org/10.1371/journal.pone.0161879 https://doi.org/10.1002/prot.21804 The protocol for classifying predicted model into the four CAPRI categories should start with those defining incorrect predictions.

Parameters
  • fnat (float) – fnat

  • lrmsd (float) – ligand rmsd

  • irmsd (float) – interface rmsd

  • system (str) – the type of complex system. Defaults to ‘protein-protein’.

Returns

str – CAPRI rank class, i.e. high, medium, acceptable or incorrect.