to_system

biotite.interface.openmm.to_system(atoms)

Create a openmm.openmm.System from an AtomArray or AtomArrayStack.

Parameters:

atomsAtomArray or AtomArrayStack

The structure to be converted. The box vectors are set from the box attribute. If multiple models are given the box of the first model is selected.

Returns:

systemSystem

The created openmm.openmm.System.