# Example for 'chain' objects from modeller import * from modeller.scripts import complete_pdb env = environ() env.io.atom_files_directory = ['../atom_files'] env.libs.topology.read(file='$(LIB)/top_heav.lib') env.libs.parameters.read(file='$(LIB)/par.lib') mdl = complete_pdb(env, "1b3q") # Print existing chain IDs and lengths: print("Chain IDs and lengths: " \ + str([(c.name, len(c.residues)) for c in mdl.chains])) # Set new chain IDs: mdl.chains['A'].name = 'X' mdl.chains['B'].name = 'Y' # Write out chain sequences: for c in mdl.chains: c.write(file='1b3q%s.chn' % c.name, atom_file='1b3q', align_code='1b3q%s' % c.name)