cctbx.development.make_cns_input module¶

cctbx.development.make_cns_input.coordinates(scatterers, xyz_only=False)¶

cctbx.development.make_cns_input.exercise(space_group_info, anomalous_flag=False, d_min=2.0, verbose=0)¶

class cctbx.development.make_cns_input.parameter_nbonds(ctofnb=7.5, ctonnb=6.5, cutnb=8.5, irexponent=2, nbxmod=5, rconst=100, repel=0, rexponent=2, tolerance=0.5, wmin=1.5)¶: Bases: object

class cctbx.development.make_cns_input.parameter_nonb(epsilon=0.1, sigma=1.5, epsilon14=0.1, sigma14=1.3)¶: Bases: object

cctbx.development.make_cns_input.run()¶

cctbx.development.make_cns_input.run_call_back(flags, space_group_info)¶

cctbx.development.make_cns_input.script_predict_methods_comparison(d_min, structure, f_obs)¶

cctbx.development.make_cns_input.script_vdw_energy(structure, param_nbonds=None, param_nonb=None)¶

cctbx.development.make_cns_input.script_xray_gradients(d_min, f_obs, structure, method)¶

cctbx.development.make_cns_input.topology(scatterers)¶

cctbx.development.make_cns_input.tst_run_requiring_cns(args, call_back)¶

cctbx.development.make_cns_input.write(file_name, cns_input)¶

cctbx.development.make_cns_input.xray_anomalous(flag)¶

cctbx.development.make_cns_input.xray_declare(names, miller_array)¶

cctbx.development.make_cns_input.xray_generate(d_max, d_min)¶

cctbx.development.make_cns_input.xray_gradients()¶

cctbx.development.make_cns_input.xray_mapresolution(d_min)¶

cctbx.development.make_cns_input.xray_method(method)¶

cctbx.development.make_cns_input.xray_predict(reciprocal_space_array)¶

cctbx.development.make_cns_input.xray_reflection(names, miller_array)¶

cctbx.development.make_cns_input.xray_structure(structure)¶

cctbx.development.make_cns_input.xray_symmetry(space_group)¶

cctbx.development.make_cns_input.xray_unit_cell(unit_cell)¶