cgexplore.utilities.yield_shifted_models¶
- cgexplore.utilities.yield_shifted_models(molecule, forcefield, kicks)[source]¶
Yield conformers with atom positions of particular beads shifted.
- Parameters:
molecule (Molecule) – The molecule to manipulate.
forcefield (ForceField) – Defines the force field.
kicks (Sequence[int]) – Defines the kicks in Angstrom to apply.
- Yields:
An stk molecule.
- Return type:
Iterator[Molecule]