# This will swap certain atom names in some planar sidechains to satisfy # the IUPAC convention. from modeller import * env = Environ() env.io.atom_files_directory = ['../atom_files'] log.level(1, 1, 1, 1, 0) mdl = Model(env, file='2abx') mdl.to_iupac() mdl.write(file='2abx.iup')