Cartesian.get_dihedral_degrees(indices, start_row=0)

Return the dihedrals between given atoms.

Calculates the dihedral angle in degrees between the atoms with indices i, b, a, d. The indices can be given in three ways:

  • As simple list [i, b, a, d]
  • As list of lists: [[i1, b1, a1, d1], [i2, b2, a2, d2]...]
  • As pandas.DataFrame where i is taken from the index and b, a and d``from the respective columns ``'b', 'a' and 'd'.
Parameters:indices (list) –
Returns:Vector of angles in degrees.
Return type:numpy.ndarray