biotite.structure.dihedral¶

biotite.structure.
dihedral
(atoms1, atoms2, atoms3, atoms4, box=None)[source]¶ Measure the dihedral angle between 4 atoms.
Parameters:  atoms1, atoms2, atoms3, atoms4 : ndarray or Atom or AtomArray or AtomArrayStack
The atoms to measure the dihedral angle between. Alternatively an ndarray containing the coordinates can be provided.
Returns:  dihed : float or ndarray
The dihedral angle(s) between the atoms. The shape is equal to the shape of the input atoms with the highest dimensionality minus the last axis.
 box : ndarray, shape=(3,3) or shape=(m,3,3), optional
If this parameter is set, periodic boundary conditions are taken into account (minimumimage convention), based on the box vectors given with this parameter. The shape (m,3,3) is only allowed, when the input coordinates comprise multiple models.
See also