- biotite.structure.dihedral(atoms1, atoms2, atoms3, atoms4, box=None)¶
Measure the dihedral angle between 4 atoms.
- atoms1, atoms2, atoms3, atoms4ndarray or Atom or AtomArray or AtomArrayStack
The atoms to measure the dihedral angle between. Alternatively an ndarray containing the coordinates can be provided.
- dihedfloat 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.
- boxndarray, shape=(3,3) or shape=(m,3,3), optional
If this parameter is set, periodic boundary conditions are taken into account (minimum-image 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.