bis_protein_structure.MMEVAL.eval_interface

bis_protein_structure.MMEVAL.eval_interface(native_pdb_path, pred_pdb_path, show=False, interface='all', print=False)[source]

Evaluates the similarity between the native and predicted interfaces based on contact maps.

Parameters:
  • native_pdb_path (str) – Path to the native PDB file.

  • pred_pdb_path (str) – Path to the predicted PDB file.

  • show (bool, optional) – Whether to display the contact maps (default is False).

  • interface (str, optional) – Specifies the chains for which the contact map should be evaluated (default is ‘all’).

  • print (bool, optional) – Whether to print the evaluation results (default is False).

Returns:

  • ICS (float) – The Interface Similarity Score (ICS).

  • IPS (float) – The Interface Patch Score (IPS).