Source code for molsysmt.form.molsysmt_Topology.to_file_psf

from molsysmt._private.digestion import digest

[docs] @digest(form='molsysmt.Topology') def to_file_psf(item, atom_indices='all', output_filename=None, skip_digestion=False): from .to_openmm_Topology import to_openmm_Topology as molsysmt_Topology_to_openmm_Topology from ..openmm_Topology import to_file_psf as openmm_Topology_to_file_psf tmp_item = molsysmt_Topology_to_openmm_Topology(item, atom_indices=atom_indices) tmp_item = openmm_Topology_to_file_psf(tmp_item, output_filename=output_filename) return tmp_item