mbuild_polybuild.aa_functional_groups.tftb.TFTB.from_gmso

TFTB.from_gmso(topology, coords_only=False, infer_hierarchy=True)

Convert a GMSO Topology to mBuild Compound.

Parameter

topologygmso.Topology

The GMSO Topology to be converted.

compoundmb.Compound, optional, default=None

Host mb.Compound that we are loading to.

coords_onlybool, optional, default=False

Set preexisting atoms in compound to coordinates given by Topology.

infer_hierarchybool, optional, default=True

If True, infer compound hierarchy from Topology residue, to be implemented. Pending new GMSO release.

returns:

compound

rtype:

mb.Compound