moleculekit.dihedral module#
- moleculekit.dihedral.dihedralAngle(pos, box=None)#
Calculates a dihedral angle.
- Parameters:
pos (np.ndarray) – An array of 4x3 size where each row are the coordinates of an atom defining the dihedral angle
box (np.ndarray) – The size of the periodic box
- Returns:
angle – The angle in radians
- Return type: