from_states

biotite.interface.openmm.from_states(template, states)

Parse the coordinates and box vectors of multiple openmm.openmm.State objects into an AtomArrayStack.

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.

statesiterable of State

The coordinates are parsed from these states. Must be created with getPositions=True.

Returns:

atomsAtomArrayStack

The created AtomArrayStack.