from_topology

biotite.interface.openmm.from_topology(topology)

Create a AtomArray from a openmm.app.topology.Topology.

Parameters:

topologyTopology

The topology to be converted.

Returns:

atomsAtomArray

The created AtomArray. As the openmm.app.topology.Topology does not contain atom coordinates, the values of the AtomArray coord are set to NaN.

Notes

This function is especially useful for obtaining an updated template, if the original topology was modified (e.g. via openmm.app.modeller.Modeller).