cctbx.omz.cod_refine module

cctbx.omz.cod_refine.get_master_phil(max_atoms=99, f_calc_options_algorithm='*direct fft', bulk_solvent_correction=False)

cctbx.omz.cod_refine.process(params, pickle_file_name)

cctbx.omz.cod_refine.process_continue(params, cod_id, c_obs, i_obs, f_obs, structure_prep)

cctbx.omz.cod_refine.remove_tmp_files(file_names)

cctbx.omz.cod_refine.run(args)

cctbx.omz.cod_refine.run_shelx76(cod_id, f_obs, xray_structure, fvars, encoded_sites, params, reference_structure)

cctbx.omz.cod_refine.run_shelxl(mode, cod_id, i_obs, f_obs, xray_structure, params, reference_structure, expected_n_refinable_parameters)

cctbx.omz.cod_refine.run_smtbx_ls(mode, cod_id, i_obs, f_obs, xray_structure, params)

cctbx.omz.cod_refine.shelxl_weights(fo_sq, sigmas, fc_sq, osf_sq, shelxl_wght)

cctbx.omz.cod_refine.shelxl_weights_a_b(fo_sq, sigmas, fc_sq, osf_sq, a, b)

cctbx.omz.cod_refine.show_cc_r1(params, label, f_obs, xray_structure=None, fc_abs=None, scale_factor=<libtbx.AutoType object>)