cgexplore.utilities.shift_beads¶ cgexplore.utilities.shift_beads(molecule, atomic_number, kick)[source]¶ Shift beads away from cage centroid. Parameters: molecule (Molecule) – The molecule to manipulate. atomic_number (int) – Atomic number of beads to manipulate. kick (float) – Scale determining size of manipulation. Returns: An stk molecule. Return type: Molecule