dihedral#
- biotite.structure.dihedral(atoms1, atoms2, atoms3, atoms4, box=None)[source]#
Measure the dihedral angle between 4 atoms.
- Parameters:
- 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.
- 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.
- Returns:
- 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.
See also
index_dihedralThe same calculation, but using atom indices.
dihedral_backboneCalculate the dihedral angle along a peptide backbone.
