Molecule.
part_rotate
(self, bond, atoms, angle, zero)¶Rotate a set of specified atoms around a given bond as the rotation axis. First however the system needs to be set to zero. Therefore the atom id to define the new coordinate system must be given for the set of specified atoms. Normally this is the atoms that is on the end of the given bond axis.
Parameters: |
|
---|
Examples
mol.part_rotate([0, 1], [1, 2, 3], 90, 0)