mdtraj.compute_chi1¶

mdtraj.compute_chi1(trajectory, opt=True)¶

Calculate the chi1 torsions of a trajectory. chi1 is the first side chain torsion angle formed between the 4 atoms over the CA-CB axis.

Parameters:	trajectory : Trajectory Trajectory for which you want dihedrals. opt : bool, default=True Use an optimized native library to calculate angles.
Returns:	indices : np.ndarray, shape=(n_chi, 4) The indices of the atoms involved in each of the chi1 dihedral angles angles : np.ndarray, shape=(n_frames, n_chi) The value of the dihedral angle for each of the angles in each of the frames.