import pyMoleCuilder # ========================== Stored Session BEGIN ========================== pyMoleCuilder.CommandVerbose(verbose="2") pyMoleCuilder.ParserSetOutputFormats(set_output="mpqc tremolo") pyMoleCuilder.CommandSetRandomNumbersDistribution(set_random_number_distribution="uniform_int", random_number_distribution_parameters="p=1;") pyMoleCuilder.WorldChangeBox(change_box="20,0,0,20,0,20") pyMoleCuilder.AtomAdd(add_atom="1", domain_position="1,1,1") pyMoleCuilder.SelectionAtomById(select_atom_by_id="0 0") pyMoleCuilder.GraphSubgraphDissection() pyMoleCuilder.SelectionMoleculeOfAtom() pyMoleCuilder.FillRegularGrid(mesh_size="3 3 3", mesh_offset=".5,.5,.5", min_distance="1", tesselation_radius="0", random_atom_displacement="0", random_molecule_displacement="0", DoRotate="0") pyMoleCuilder.CommandVersion() # =========================== Stored Session END ===========================