from_state

biotite.interface.openmm.from_state(template, state)

Parse the coordinates and box of the given openmm.openmm.State into an AtomArray.

Parameters:

templateAtomArray

This structure is used as template. The output AtomArray is equal to this template with the exception of the coordinates and the box vectors.

stateState

The coordinates are parsed from this state. Must be created with getPositions=True.

Returns:

atomsAtomArray

The created AtomArray.