date Thu Jun 19 22:28:30 PDT 2003 uname -mrsv OSF1 V5.1 732 alpha cxx -V Compaq C++ V6.5-031 for Compaq Tru64 UNIX V5.1 (Rev. 732) Compiler Driver V6.5-031 (cxx) cxx Driver $BUILD_PYTHON_EXE -V Python 2.2.2 python $SCITBX_DIST/run_tests.py /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/scitbx/array_family/tst_af_1 Total OK: 435 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/scitbx/array_family/tst_af_2 Total OK: 268 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/scitbx/array_family/tst_af_3 Total OK: 164 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/scitbx/array_family/tst_af_4 Total OK: 1300 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/scitbx/array_family/tst_af_5 Total OK: 23 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/scitbx/array_family/tst_vec3 Total OK: 56 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/scitbx/array_family/tst_mat3 Total OK: 81 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/scitbx/array_family/tst_sym_mat3 Total OK: 65 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/scitbx/array_family/tst_mat_ref Total OK: 60 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/scitbx/array_family/tst_accessors Total OK: 1119 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/scitbx/array_family/boost_python/regression_test.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/scitbx/array_family/boost_python/tst_flex.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/scitbx/boost_python/tst_rational.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/scitbx/serialization/tst_base_256 OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/scitbx/math/boost_python/tst_eigensystem.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/scitbx/lbfgs/boost_python/tst_lbfgs.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/scitbx/fftpack/boost_python/tst_fftpack.py u+s,u,s: 5.43 5.40 0.03 python $CCTBX_DIST/run_tests.py --Quick /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/array_family/boost_python/tst_flex.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/uctbx/boost_python/tst_uctbx.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/sgtbx/boost_python/tst_sgtbx.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/adptbx/boost_python/tst_adptbx.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/miller/boost_python/tst_miller.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/eltbx/boost_python/tst_caasf.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/eltbx/boost_python/tst_henke.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/eltbx/boost_python/tst_icsd_radii.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/eltbx/boost_python/tst_neutron.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/eltbx/boost_python/tst_sasaki.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/eltbx/boost_python/tst_tiny_pse.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/eltbx/boost_python/tst_wavelengths.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/xray/boost_python/tst_xray.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/maptbx/boost_python/tst_maptbx.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/mintbx/boost_python/tst_mintbx.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/dmtbx/boost_python/tst_dmtbx.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/translation_search/boost_python/tst_translation_search.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/matrix.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_sgtbx.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_sgtbx_harker.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/sgtbx/symbol_confidence.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_crystal.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_xray.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_miller.py P31 P 31 u+s,u,s: 0.97 0.85 0.12 OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_reciprocal_space_asu.py P312 P 3 1 2 u+s,u,s: 0.78 0.70 0.08 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_emma.py P31 P 31 u+s,u,s: 4.50 4.35 0.15 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_find_centre_of_inversion.py P31 P 31 u+s,u,s: 0.58 0.48 0.10 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_expand_to_p1.py P31 P 31 u+s,u,s: 0.35 0.23 0.12 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_change_basis.py P31 P 31 u+s,u,s: 0.32 0.22 0.10 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_wilson_plot.py P31 P 31 u+s,u,s: 0.65 0.55 0.10 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_xray_derivatives.py P31 P 31 u+s,u,s: 0.92 0.82 0.10 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_xray_minimization.py P31 P 31 u+s,u,s: 0.95 0.87 0.08 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_maptbx_structure_factors.py P31 P 31 u+s,u,s: 0.65 0.55 0.10 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_k_b_scaling.py P31 P 31 u+s,u,s: 2.00 1.88 0.12 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_miller_merge_equivalents.py P31 P 31 u+s,u,s: 0.43 0.35 0.08 OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_miller_fft_map.py P31 P 31 u+s,u,s: 0.42 0.33 0.08 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_sampled_model_density.py P31 P 31 u+s,u,s: 2.53 2.45 0.08 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/regression/tst_fast_nv1995.py F222 F 2 2 2 u+s,u,s: 4.62 4.52 0.10 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/development/tst_cns_epsilon.py P31 CNS not available. /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/development/tst_cns_hl.py P31 CNS not available. /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/development/run_shelx.py P31 sh: shelxl: not found SHELX not available. python $PHENIX_DIST/run_tests.py --Quick /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/phenix/phenix/regression/tst_heavy_search.py C2 C 1 2 1 u+s,u,s: 3.48 3.37 0.12 python $CCTBX_DIST/run_examples.py --Quick /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/cctbx/examples/getting_started unit cell: (11,12,13,90,100,90) space group: C 1 2 1 symmetry operations: x,y,z -x,y,-z x+1/2,y+1/2,z -x+1/2,y+1/2,-z /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/examples/getting_started.py Unit cell: (11, 12, 13, 90, 100, 90) Space group: C 1 2 1 (No. 5) x,y,z -x,y,-z x+1/2,y+1/2,z -x+1/2,y+1/2,-z /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/examples/analyze_adp.py Input Ucif: (0.17000000000000001, 0.17000000000000001, 0.19, 0.089999999999999997, 0, 0) Warning: ADP tensor is incompatible with site symmetry. Averaged Ucif: (0.16666666666666666, 0.16666666666666666, 0.19000000000000003, 0.083333333333333329, 0.0, 0.0) Eigenvectors and values: v=(0.00000 0.00000 1.00000) lambda=0.1900 v=(0.00000 1.00000 -0.00000) lambda=0.1667 v=(1.00000 -0.00000 -0.00000) lambda=0.1667 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/examples/all_axes.py P31 Space group: P 31 (No. 144) Rotation type, Axis direction, Intrinsic part, Origin shift ('1', '-', '-', '-') ('3', '[0,0,1]', '(0,0,1/3)', '(0,0,0)') ('3', '[0,0,1]', '(0,0,1/3)', '(1/3,2/3,0)') ('3', '[0,0,1]', '(0,0,1/3)', '(2/3,1/3,0)') ('3', '[0,0,1]', '(0,0,2/3)', '(0,0,0)') ('3', '[0,0,1]', '(0,0,2/3)', '(1/3,2/3,0)') ('3', '[0,0,1]', '(0,0,2/3)', '(2/3,1/3,0)') /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/cctbx/cctbx/examples/tst_phase_o_phrenia.py P2 P 1 2 1 Number of scatterers: 1 At special positions: 0 Unit cell: (7.82191, 10.1685, 13.2972, 90, 109, 90) Space group: P 1 2 1 (No. 3) Label M Coordinates Occ Uiso or Ucart Hg1 2 0.0169 0.8953 0.1115 1.00 0.0000 1 0.00000 0.80000 0.00000 0.0553856 0.50000 0.80000 0.00000 0.05494 0.25000 0.60000 0.15000 0.039464 0.00000 0.26667 0.00000 0.0386395 0.41667 0.00000 0.30000 0.0312166 0.50000 0.66667 0.50000 0.0304156 0.25000 0.40000 0.90000 0.0266933 0.00000 0.66667 0.50000 0.025062 0.50000 0.26667 0.50000 0.0210395 0.00000 0.26667 0.30000 0.0197527 0.16667 0.00000 0.70000 0.0129092 0.25000 0.46667 0.65000 u+s,u,s: 0.33 0.25 0.08 python $CCTBX_DIST/cctbx/web/replay.py $BUILD_SRC/regression/cctbx/web/[a-z]* | grep -i error cctbx Error: Brick is not available for the given space group representation. python $IOTBX_DIST/run_tests.py /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/iotbx/iotbx/pdb/tst_pdb.py REMARK Title REMARK Any REMARK Thing REMARK Number of scatterers: 8 REMARK At special positions: 0 REMARK Cartesian coordinates CRYST1 20.125 20.125 34.212 90.00 90.00 120.00 P 31 ATOM 1 N1 N1 1 1.280 5.748 34.122 1.00 12.37 ATOM 2 C2 C2 2 -1.542 12.048 24.564 1.00 56.36 ATOM 3 C3 C3 3 8.365 3.045 20.188 1.00 32.34 ATOM 4 O4 O4 4 7.245 13.514 3.126 1.00 10.77 ATOM 5 N5 N5 5 -1.288 13.648 13.775 1.00 0.62 ATOM 6 C6 C6 6 0.913 11.580 6.721 1.00 42.54 ATOM 7 C7 C7 7 11.494 5.881 10.277 1.00 74.90 ATOM 8 O8 O8 8 15.495 6.543 7.328 1.00 46.43 END REMARK Title REMARK Any REMARK Thing REMARK Number of scatterers: 8 REMARK At special positions: 0 REMARK Fractional coordinates CRYST1 20.125 20.125 34.212 90.00 90.00 120.00 P 31 ATOM 1 N1 N1 1 0.229 0.330 0.997 1.00 12.37 ATOM 2 C2 C2 2 0.269 0.691 0.718 1.00 56.36 ATOM 3 C3 C3 3 0.503 0.175 0.590 1.00 32.34 ATOM 4 O4 O4 4 0.748 0.775 0.091 1.00 10.77 ATOM 5 N5 N5 5 0.328 0.783 0.403 1.00 0.62 ATOM 6 C6 C6 6 0.378 0.664 0.196 1.00 42.54 ATOM 7 C7 C7 7 0.740 0.337 0.300 1.00 74.90 ATOM 8 O8 O8 8 0.958 0.375 0.214 1.00 46.43 END OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/iotbx/iotbx/cns/space_group_symbols.py OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/iotbx/iotbx/cns/tst_cns.py {+ file: foo.sdb +} {+ description: random_structure +} {+ comment: any thing +} {- begin block parameter definition -} define( {============================ space group ============================} {* space group *} {* use International Table conventions with subscripts substituted by parenthesis *} {===>} sg="P3(1)"; {==================== derivative/MAD coordinates =====================} {+ list: for each site define: - whether the site is to be refined, fixed or ignored - derivative name (must be the same for all sites in a derivative) - chemical type (note: wavelength-dependent form factors are specified in mad_refine.inp) - coordinates (x, y, z) - B-value (b) - occupancy (q) - group name (g) +} {+ list: the optional group name (g) is a string of upto 4 characters. If a group is left blank, each site is refined individually. If a group is specified, all sites with the same group name and the same derivative name are treated as a rigid body, and their occupancies, B-values, and form factors are refined as a group. +} {+ table: rows=8 numbered cols=9 "action" "derivative name" "chemical type" "x coordinate" "y coordinate" "z coordinate" "B-value" "occupancy" "group" +} {+ choice: "refine" "fix" "ignore" +} {===>} site.action_1="fix"; {===>} site.segid_1="SITE"; site.type_1="N"; {===>} site.x_1=8.58803; site.y_1=4.69777; site.z_1=23.7081; {===>} site.b_1=24.6321; site.q_1=1; site.g_1="best"; {+ choice: "refine" "fix" "ignore" +} {===>} site.action_2="fix"; {===>} site.segid_2="SITE"; site.type_2="C"; {===>} site.x_2=-1.87628; site.y_2=10.7781; site.z_2=8.93552; {===>} site.b_2=21.8712; site.q_2=1; site.g_2="best"; {+ choice: "refine" "fix" "ignore" +} {===>} site.action_3="fix"; {===>} site.segid_3="SITE"; site.type_3="C"; {===>} site.x_3=0.0994247; site.y_3=13.4065; site.z_3=8.55443; {===>} site.b_3=56.8158; site.q_3=1; site.g_3="best"; {+ choice: "refine" "fix" "ignore" +} {===>} site.action_4="fix"; {===>} site.segid_4="SITE"; site.type_4="O"; {===>} site.x_4=8.55578; site.y_4=6.05928; site.z_4=32.671; {===>} site.b_4=11.8346; site.q_4=1; site.g_4="best"; {+ choice: "refine" "fix" "ignore" +} {===>} site.action_5="fix"; {===>} site.segid_5="SITE"; site.type_5="N"; {===>} site.x_5=-0.100073; site.y_5=0.222522; site.z_5=23.1574; {===>} site.b_5=24.2523; site.q_5=1; site.g_5="best"; {+ choice: "refine" "fix" "ignore" +} {===>} site.action_6="fix"; {===>} site.segid_6="SITE"; site.type_6="C"; {===>} site.x_6=-2.00352; site.y_6=12.9788; site.z_6=31.6244; {===>} site.b_6=56.5516; site.q_6=1; site.g_6="best"; {+ choice: "refine" "fix" "ignore" +} {===>} site.action_7="fix"; {===>} site.segid_7="SITE"; site.type_7="C"; {===>} site.x_7=3.7642; site.y_7=0.8644; site.z_7=2.84952; {===>} site.b_7=22.55; site.q_7=1; site.g_7="best"; {+ choice: "refine" "fix" "ignore" +} {===>} site.action_8="fix"; {===>} site.segid_8="SITE"; site.type_8="O"; {===>} site.x_8=11.3808; site.y_8=9.42302; site.z_8=15.9621; {===>} site.b_8=16.6891; site.q_8=1; site.g_8="best"; {* to appended new entries or merge this file with other site database files use sdb_manipulate.inp *} {* to delete sites from this file either set the derivative name to be blank or use delete_sites.inp *} {===========================================================================} { things below this line do not normally need to be changed } {===========================================================================} ) {- end block parameter definition -} OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/iotbx/iotbx/mtz/tst_mtz.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 u+s,u,s: 5.20 4.93 0.27 /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/iotbx/iotbx/detectors/tst_adsc.py Completed test read of ADSC image: image size 2304 x 2304 = 5308416 pixels pixel size 0.0816 saturated value 65535 starting phi 0.0 OK /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_build/python/bin/python /net/redbelly/scratch1/rwgk/cctbx_auto_build/cctbx_sources/iotbx/iotbx/xplor/tst_xplormap.py OK date Thu Jun 19 22:30:39 PDT 2003