bis_protein_structure.TORSION2.getTorsion_acc

bis_protein_structure.TORSION2.getTorsion_acc(target_residues, tor_masks, native_angles, target_angles, target_alter_angles, thres=10, chi_dependent=True)[source]

Calculates the accuracy of torsion angles by comparing native angles with target angles and optional alternative angles.

Parameters:

  • target_residues (dict) – A dictionary containing the target residues indexed by their residue numbers.

  • tor_masks (np.ndarray) – A boolean array indicating the availability of torsion angles for each residue.

  • native_angles (np.ndarray) – An array of native torsion angles.

  • target_angles (np.ndarray) – An array of target torsion angles for comparison.

  • target_alter_angles (np.ndarray) – An array of alternative target torsion angles for comparison.

  • thres (int, optional) – The threshold for considering an angle correct. Default is 10 degrees.

  • chi_dependent (bool, optional) – If True, ensures that only the first valid chi angle is counted as correct. Default is True.

Returns:

A dictionary containing the total, correct counts, and accuracy for each angle type (backbone and sidechain).

Return type:

dict