mbuild_polybuild.aa_functional_groups.ptp.PTP.to_hoomdsnapshot

PTP.to_hoomdsnapshot(**kwargs)

Create a HOOMD-Blue snapshot from an mBuild Compound.

Parameters:

compound (mb.Compound) – The mb.Compound to be converted.

Returns:

snapshot – HOOMD-Blue compatible topology.

Return type:

gsd.hoomd.Frame