c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_twin_target.py u+s,u,s: 45.10 44.29 0.81 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\sgtbx\symbol_confidence.py OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\sgtbx\bravais_types.py OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_miller_lookup_utils.py OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_crystal.py I41/acd I 41/a c d :2 u+s,u,s: 0.97 0.25 0.72 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_direct_space_asu.py I41/acd I 41/a c d :2 u+s,u,s: 4.18 3.43 0.75 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_pair_asu_table.py Skipping exercise_all(): phenix_regression/misc not available u+s,u,s: 0.98 0.34 0.64 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_crystal_asu_clusters.py OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_coordination_sequences.py Skipping exercise(): input file not available OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_crystal_close_packing.py R-3mr time groel_sampling: 0.81 seconds R -3 m :R u+s,u,s: 2.15 1.51 0.64 OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_xray.py I41/acd I 41/a c d :2 u+s,u,s: 7.41 6.66 0.75 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_structure_factors_multithread.py OpenMP not available: test of resilience to adptbx exception skipped. omptbx.have_stubs_h Skipping raw multithreaded structure factor computation tests usr+sys time: 0.97 seconds wall clock time: 0.98 seconds c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_miller.py P31 P 31 u+s,u,s: 5.18 4.51 0.67 OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_reciprocal_space_asu.py P312 P 3 1 2 u+s,u,s: 0.78 0.34 0.44 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_triplet_generator.py P41 P 41 u+s,u,s: 0.90 0.20 0.70 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_emma.py P31 P 31 u+s,u,s: 1.84 1.14 0.70 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_find_centre_of_inversion.py P31 P 31 u+s,u,s: 1.08 0.23 0.84 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_expand_to_p1.py P31 P 31 u+s,u,s: 0.90 0.22 0.69 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_change_basis.py P31 P 31 u+s,u,s: 1.01 0.37 0.64 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_wilson_plot.py P31 P 31 u+s,u,s: 1.03 0.34 0.69 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_xray_derivatives.py P31 P 31 u+s,u,s: 4.60 3.88 0.72 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_xray_fast_gradients.py P31 P 31 from_scatterers_direct: 4 calls, 0.08 s from_scatterers_fft: 15 calls, 0.22 s gradients_direct: 23 calls, 0.48 s gradients_fft: 2 calls, 0.09 s usr+sys time: 2.67 seconds wall clock time: 2.74 seconds c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_xray_minimization.py --F P31 Refinement against F P 31 u+s,u,s: 13.40 12.46 0.94 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_xray_minimization.py --F_sq P31 Refinement against F^2 P 31 u+s,u,s: 5.96 5.24 0.72 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\maptbx\tst_real_space_refinement.py u+s,u,s: 4.20 3.49 0.70 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_maptbx_structure_factors.py P31 P 31 u+s,u,s: 0.95 0.36 0.59 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\maptbx\tst_real_space_refinement_simple.py u+s,u,s: 1.98 1.28 0.70 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\maptbx\tst_real_space_target_and_gradients.py Start: 0.8 Final: 8.73417576503e-05 Final: 8.73417576504e-05 Final: 8.73417576504e-05 Final: 8.73417576505e-05 Final: 8.73417576506e-05 OK Time: 6.396 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_miller_merge_equivalents.py P31 P 31 u+s,u,s: 0.92 0.33 0.59 OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_grouped_data.py P31 P 31 u+s,u,s: 0.90 0.20 0.70 OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_miller_fft_map.py P31 P 31 u+s,u,s: 1.53 0.92 0.61 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_sampled_model_density.py P31 P 31 usr+sys time: 3.15 seconds wall clock time: 3.28 seconds c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_fast_nv1995.py F222 F 2 2 2 u+s,u,s: 1.12 0.48 0.64 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_geometry_restraints.py OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_geometry_restraints_lbfgs.py OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_geometry_restraints_2.py Skipping exercise_with_zeolite(): input file not available Traceback (most recent call last): File "c:\Users\Swapnil\Desktop\cctbx_sources\cctbx\regression\tst_geometry_res traints_2.py", line 691, in exercise_all(sys.argv[1:]) File "c:\Users\Swapnil\Desktop\cctbx_sources\cctbx\regression\tst_geometry_res traints_2.py", line 686, in exercise_all exercise_with_pdb(verbose=verbose) File "c:\Users\Swapnil\Desktop\cctbx_sources\cctbx\regression\tst_geometry_res traints_2.py", line 401, in exercise_with_pdb log=out) File "c:\Users\Swapnil\Desktop\cctbx_sources\mmtbx\monomer_library\pdb_interpr etation.py", line 3712, in run mon_lib_srv = server.server() File "c:\Users\Swapnil\Desktop\cctbx_sources\mmtbx\monomer_library\server.py", line 218, in __init__ list_cif = mon_lib_list_cif() File "c:\Users\Swapnil\Desktop\cctbx_sources\mmtbx\monomer_library\server.py", line 64, in mon_lib_list_cif strict=strict) File "c:\Users\Swapnil\Desktop\cctbx_sources\mmtbx\monomer_library\server.py", line 56, in __init__ + ", ".join(mon_lib_env_vars)) mmtbx.monomer_library.server.MonomerLibraryServerError: Cannot find CCP4 monomer library. Please define one of these environment variables: MMTBX_CCP4_MONOMER_L IB, CLIBD_MON c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\development\make_cns_input.py P31 P 31 u+s,u,s: 0.97 0.28 0.69 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\development\tst_cns_epsilon.py P31 CNS not available. c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\development\tst_cns_hl.py P31 CNS not available. c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\development\run_shelx.py P31 SHELX not available. c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_pointgroup_tools.py OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\sgtbx\sub_lattice_tools.py u+s,u,s: 1.31 0.73 0.58 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\sgtbx\rational_matrices_point_groups.py OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\sgtbx\cosets.py OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\sgtbx\reticular_pg_tools.py OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\sgtbx\reticular_twin_laws.py OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_find_best_cell.py OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_amplitude_normalisation.py OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\regression\tst_statistics_graphs.py P 1 P -1 P 1 2 1 C 1 2/c 1 P 2 2 2 I m m a P 4 P 41 I 41/a c d :2 P 3 P 31 P 3 1 m R -3 c :H P 6 P 63/m m c P 2 3 I a -3 d I 4/m c m (a+b-1/6,-a+b,c+1/4) u+s,u,s: 3.49 2.75 0.75 OK c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\sgtbx\direct_space_asu\proto\tst_asu.py u+s,u,s: 7.30 6.71 0.59 c:\Users\Swapnil\Desktop\Enthought\python.exe c:\Users\Swapnil\Desktop\cctbx_sou rces\cctbx\masks\tests\tst_flood_fill.py OK c:\Users\Swapnil\Desktop\cctbx_build>