tcr_pmhc_interface_analysis.measurements module

tcr_pmhc_interface_analysis.measurements.calculate_angle(v1, v2)

tcr_pmhc_interface_analysis.measurements.calculate_dihedral_angle(a, b, c, d)

tcr_pmhc_interface_analysis.measurements.calculate_phi_psi_angles(residue: DataFrame, prev_residue: DataFrame, next_residue: DataFrame) → tuple[float, float]

Calculate the dihedral (phi and psi) angles for a given residue.

tcr_pmhc_interface_analysis.measurements.compute_residue_com(residue: DataFrame) → array

Compute the centre of mass for a residue.

tcr_pmhc_interface_analysis.measurements.get_distance(vec1, vec2)

tcr_pmhc_interface_analysis.measurements.get_distances(vec1, vec2)

tcr_pmhc_interface_analysis.measurements.measure_chi_angle(residue_df: DataFrame, number: int = 1) → float