# Example for: Selection.assess_dope() from modeller import * from modeller.scripts import complete_pdb env = Environ() env.libs.topology.read(file='$(LIB)/top_heav.lib') env.libs.parameters.read(file='$(LIB)/par.lib') # Read a model previously generated by Modeller's AutoModel class mdl = complete_pdb(env, '../atom_files/1fdx.B99990001.pdb') # Select all atoms in the first chain atmsel = Selection(mdl.chains[0]) score = atmsel.assess_dope()