# Example for: topology.make(), topology.write() # This creates a topology library for heavy atoms from the # CHARMM all-atom topology library: from modeller import * env = Environ() tpl = env.libs.topology # Read CHARMM all-atom topology library: tpl.read(file='${LIB}/top.lib') # Keep only heavy atoms (TOPOLOGY_MODEL = 3) tpl.make(submodel=3) # Write the resulting topology library to a new file: tpl.write(file='top_heav.lib')