#CCP4I VERSION CCP4Interface 1.3.12 #CCP4I SCRIPT LOG molrep #CCP4I DATE 24 Jul 2003 12:13:34 #CCP4I USER mgwt #CCP4I PROJECT 2003test #CCP4I JOB_ID 157 #CCP4I SCRATCH /tmp/mgwt #CCP4I HOSTNAME bunyip #CCP4I PID 18378 ############################################################### ############################################################### ############################################################### ### CCP4 5.0: MOLREP(ccp4)7.4.03 ########## ############################################################### User: mgwt Run date: 24/ 7/2003 Run time: 12:13:34 Please reference: Collaborative Computational Project, Number 4. 1994. "The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. D50, 760-763. as well as any specific reference in the program write-up. $TEXT:Reference1: $$ comment $$ MOLREP: an automated program for molecular replacement A.Vagin,A.Teplyakov. J. Appl. Cryst. (1997) 30, 1022-1025. $$ $SUMMARY :Reference1: $$ MOLREP: $$ :TEXT:Reference1: $$ Data line--- DOC Y Data line--- LABIN F=F SIGF=SIGF Data line--- SURF Y Data line--- NMON 3 Data line--- NP 10 Data line--- NPT 10 Data line--- NPTD 10 Data line--- END Sol_ Sol_ - MOLREP(CCP4) - /Vers 7.4.03; 21.01.2003/ Sol_ Memory: 16000000 Sol_ Dataset id missing from COLUMN records in MTZ header. Making default assignments. >>>>>> CCP4 library signal mtz:Missing or incomplete dataset information in input file. (Warning) raised in MtzGet <<<<<< ----------------------------------- --- MTZ file :/y/people/mgwt/CCP4/examples/tut2003/data/cardiotoxin.mtz No Label type 1 H H 2 K H 3 L H 4 F F 5 SIGF Q 6 FreeR_flag I ----------------------------------- Data line--- LABIN F=F SIGF=SIGF FORMATTED UNKNOWN file opened on unit 22 Logical name: /y/people/mgwt/work/2003test_157_molrep_molrep_mtz.cif, Full name: /y/people/mgwt/work/2003test_157_molrep_molrep_mtz.cif Dataset id missing from COLUMN records in MTZ header. Making default assignments. >>>>>> CCP4 library signal mtz:Missing or incomplete dataset information in input file. (Warning) raised in MtzGet <<<<<< N,hkl,F,sig,stat : 5000 -21 7 32 1010. 56.00 o N,hkl,F,sig,stat : 10000 -3 13 10 4642. 73.00 o N,hkl,F,sig,stat : 15000 19 1 2 0.1047E+05 114.0 o ----------------------------- Number of reflections output : 17127 Sol_ inMODEL_file :/y/people/mgwt/CCP4/examples/tut2003/data/model.pdb Sol_ inSF_file_ :/y/people/mgwt/work/2003test_157_molrep_molrep_mtz.cif INFO: card "CRYST1" is missing in PDB_file default space group "P 1" Default CELL: 100,100,100,90,90,90 --- read Fobs file ..--- INFO: Fobs and Model have different space group or setting program will use the space group and cell from Fobs file Sol_INFO: model was corrected (keyword SURF="Y") Sol_ model was shifted to the origin of coordinate system Sol_ shift vector : -0.88 -0.51 -0.14 Sol_ /fract/ : -0.012 -0.013 -0.003 Badd,Badd_scl : 0.00 0.00 Boff,Boff_scl : 576.00 324.00 Sol_ Space group : C 1 2 1 Sol_ No: 5 Sett: 2 Sol_ Cell: 78.700 40.400 56.000 90.00 117.10 90.00 Sol_--- Rotation function --- Sol_ Sol_ Radius of integration : 20.44 Sol_ Resmin,Resmax : 32.31 3.00 Sol_ Boff,Badd : 576.00 0.00 Sol_ Boff_scl,Badd_scl : 324.00 0.00 --- rfcoef for model --- Sol_ Lmin,Lmax : 4 34 --- rfcoef for Fobs --- limit DISTANCE : 3.750 / grad / Number of peaks : 10 theta phi chi alpha beta gamma Rf Rf/sigma Sol_RF 1 148.80 -167.04 153.35 28.43 60.55 182.52 0.6211E+08 5.24 Sol_RF 2 117.85 152.75 83.79 40.01 72.37 274.52 0.5599E+08 4.72 Sol_RF 3 147.29 110.52 132.52 318.12 59.29 277.07 0.5318E+08 4.48 Sol_RF 4 147.19 128.67 149.13 326.86 62.97 249.51 0.5107E+08 4.31 Sol_RF 5 103.50 -102.33 64.53 159.29 62.54 183.94 0.4983E+08 4.20 Sol_RF 6 146.70 113.18 143.67 314.61 62.89 268.26 0.4934E+08 4.16 Sol_RF 7 20.38 -106.32 137.31 231.04 37.86 263.69 0.4885E+08 4.12 Sol_RF 8 115.26 170.53 71.28 63.52 63.60 262.46 0.4832E+08 4.07 Sol_RF 9 33.41 2.12 113.96 324.21 55.00 139.98 0.4821E+08 4.06 Sol_RF 10 106.51 52.68 50.26 315.09 48.05 29.72 0.4295E+08 3.62 Sol_ Sol_--- Translation function --- Sol_ Resmin,Resmax : 32.31 3.00 Sol_ Boff,Badd : 576.00 0.00 Sol_ Boff_scl,Badd_scl : 324.00 0.00 Sol_--- peak number of Rotation Function : 1 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_1 1 28.43 60.55 182.52 0.271 0.000 0.480 3.52 0.612 0.120 Sol_TF_1 2 28.43 60.55 182.52 0.182 0.000 0.123 3.51 0.605 0.133 Sol_TF_1 3 28.43 60.55 182.52 0.095 0.000 0.314 3.47 0.606 0.130 Sol_TF_1 4 28.43 60.55 182.52 0.024 0.000 0.380 3.11 0.622 0.107 Sol_TF_1 5 28.43 60.55 182.52 0.374 0.000 0.368 3.10 0.612 0.120 Sol_TF_1 6 28.43 60.55 182.52 0.114 0.000 0.352 2.92 0.603 0.126 Sol_TF_1 7 28.43 60.55 182.52 0.259 0.000 0.081 2.91 0.611 0.117 Sol_TF_1 8 28.43 60.55 182.52 0.075 0.000 0.067 2.91 0.623 0.099 Sol_TF_1 9 28.43 60.55 182.52 0.453 0.000 0.094 2.79 0.611 0.118 Sol_TF_1 10 28.43 60.55 182.52 0.154 0.000 0.008 2.53 0.603 0.122 Sol_--- peak number of Rotation Function : 2 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_2 1 40.01 72.37 274.52 0.110 0.000 0.437 4.75 0.620 0.087 Sol_TF_2 2 40.01 72.37 274.52 0.132 0.000 0.405 3.89 0.614 0.092 Sol_TF_2 3 40.01 72.37 274.52 0.322 0.000 0.457 3.72 0.603 0.104 Sol_TF_2 4 40.01 72.37 274.52 0.786 0.000 0.015 3.36 0.606 0.104 Sol_TF_2 5 40.01 72.37 274.52 0.447 0.000 0.299 3.34 0.611 0.097 Sol_TF_2 6 40.01 72.37 274.52 0.363 0.000 0.492 3.16 0.610 0.092 Sol_TF_2 7 40.01 72.37 274.52 0.381 0.000 0.456 3.07 0.615 0.091 Sol_TF_2 8 40.01 72.37 274.52 0.814 0.000 0.018 3.03 0.612 0.096 Sol_TF_2 9 40.01 72.37 274.52 0.480 0.000 0.187 2.95 0.611 0.093 Sol_TF_2 10 40.01 72.37 274.52 0.414 0.000 0.342 2.83 0.610 0.092 Sol_--- peak number of Rotation Function : 3 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_3 1 318.12 59.29 277.07 0.494 0.000 0.155 3.86 0.606 0.107 Sol_TF_3 2 318.12 59.29 277.07 0.068 0.000 0.190 3.35 0.598 0.124 Sol_TF_3 3 318.12 59.29 277.07 0.062 0.000 0.302 3.27 0.608 0.105 Sol_TF_3 4 318.12 59.29 277.07 0.241 0.000 0.398 3.03 0.616 0.092 Sol_TF_3 5 318.12 59.29 277.07 0.461 0.000 0.259 2.96 0.615 0.103 Sol_TF_3 6 318.12 59.29 277.07 0.187 0.000 0.218 2.88 0.603 0.109 Sol_TF_3 7 318.12 59.29 277.07 0.020 0.000 0.250 2.81 0.596 0.117 Sol_TF_3 8 318.12 59.29 277.07 0.485 0.000 0.388 2.79 0.608 0.108 Sol_TF_3 9 318.12 59.29 277.07 0.333 0.000 0.483 2.78 0.608 0.107 Sol_TF_3 10 318.12 59.29 277.07 0.280 0.000 0.293 2.71 0.617 0.089 Sol_--- peak number of Rotation Function : 4 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_4 1 326.86 62.97 249.51 0.313 0.000 0.049 4.14 0.625 0.088 Sol_TF_4 2 326.86 62.97 249.51 0.153 0.000 0.409 3.69 0.649 0.048 Sol_TF_4 3 326.86 62.97 249.51 0.378 0.000 0.466 3.31 0.615 0.089 Sol_TF_4 4 326.86 62.97 249.51 0.390 0.000 0.360 3.11 0.623 0.083 Sol_TF_4 5 326.86 62.97 249.51 0.133 0.000 0.366 3.11 0.617 0.080 Sol_TF_4 6 326.86 62.97 249.51 0.465 0.000 0.082 3.05 0.618 0.085 Sol_TF_4 7 326.86 62.97 249.51 0.483 0.000 0.127 2.92 0.625 0.085 Sol_TF_4 8 326.86 62.97 249.51 0.402 0.000 0.406 2.85 0.637 0.061 Sol_TF_4 9 326.86 62.97 249.51 0.132 0.000 0.471 2.77 0.625 0.074 Sol_TF_4 10 326.86 62.97 249.51 0.723 0.000 0.427 2.75 0.621 0.077 Sol_--- peak number of Rotation Function : 5 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_5 1 159.29 62.54 183.94 0.340 0.000 0.292 3.79 0.610 0.135 Sol_TF_5 2 159.29 62.54 183.94 0.098 0.000 0.252 3.41 0.612 0.126 Sol_TF_5 3 159.29 62.54 183.94 0.452 0.000 0.353 3.35 0.618 0.112 Sol_TF_5 4 159.29 62.54 183.94 0.193 0.000 0.025 3.06 0.613 0.113 Sol_TF_5 5 159.29 62.54 183.94 0.417 0.000 0.086 2.98 0.600 0.139 Sol_TF_5 6 159.29 62.54 183.94 0.383 0.000 0.196 2.87 0.611 0.114 Sol_TF_5 7 159.29 62.54 183.94 0.764 0.000 0.322 2.81 0.621 0.099 Sol_TF_5 8 159.29 62.54 183.94 0.796 0.000 0.054 2.80 0.618 0.101 Sol_TF_5 9 159.29 62.54 183.94 0.117 0.000 0.167 2.79 0.609 0.118 Sol_TF_5 10 159.29 62.54 183.94 0.409 0.000 0.337 2.64 0.615 0.111 Sol_--- peak number of Rotation Function : 6 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_6 1 314.61 62.89 268.26 0.259 0.000 0.000 3.28 0.620 0.096 Sol_TF_6 2 314.61 62.89 268.26 0.194 0.000 0.013 3.24 0.626 0.079 Sol_TF_6 3 314.61 62.89 268.26 0.017 0.000 0.413 3.23 0.612 0.101 Sol_TF_6 4 314.61 62.89 268.26 0.049 0.000 0.186 3.02 0.622 0.085 Sol_TF_6 5 314.61 62.89 268.26 0.429 0.000 0.096 3.00 0.619 0.090 Sol_TF_6 6 314.61 62.89 268.26 0.000 0.000 0.159 2.84 0.617 0.085 Sol_TF_6 7 314.61 62.89 268.26 0.074 0.000 0.238 2.80 0.611 0.098 Sol_TF_6 8 314.61 62.89 268.26 0.190 0.000 0.435 2.76 0.626 0.090 Sol_TF_6 9 314.61 62.89 268.26 0.089 0.000 0.277 2.71 0.615 0.093 Sol_TF_6 10 314.61 62.89 268.26 0.522 0.000 0.136 2.71 0.620 0.080 Sol_--- peak number of Rotation Function : 7 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_7 1 231.04 37.86 263.69 0.381 0.000 0.042 4.70 0.622 0.096 Sol_TF_7 2 231.04 37.86 263.69 0.302 0.000 0.453 4.07 0.630 0.080 Sol_TF_7 3 231.04 37.86 263.69 0.350 0.000 0.345 3.77 0.628 0.075 Sol_TF_7 4 231.04 37.86 263.69 0.391 0.000 0.088 3.39 0.613 0.103 Sol_TF_7 5 231.04 37.86 263.69 0.352 0.000 0.044 3.32 0.635 0.069 Sol_TF_7 6 231.04 37.86 263.69 0.332 0.000 0.448 3.01 0.630 0.073 Sol_TF_7 7 231.04 37.86 263.69 0.823 0.000 0.000 2.94 0.622 0.078 Sol_TF_7 8 231.04 37.86 263.69 0.116 0.000 0.124 2.87 0.618 0.088 Sol_TF_7 9 231.04 37.86 263.69 0.068 0.000 0.371 2.81 0.613 0.100 Sol_TF_7 10 231.04 37.86 263.69 0.371 0.000 0.093 2.79 0.632 0.072 Sol_--- peak number of Rotation Function : 8 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_8 1 63.52 63.60 262.46 0.122 0.000 0.091 3.47 0.621 0.083 Sol_TF_8 2 63.52 63.60 262.46 0.626 0.000 0.349 3.39 0.622 0.090 Sol_TF_8 3 63.52 63.60 262.46 0.406 0.000 0.160 3.08 0.609 0.109 Sol_TF_8 4 63.52 63.60 262.46 0.166 0.000 0.384 3.08 0.618 0.079 Sol_TF_8 5 63.52 63.60 262.46 0.436 0.000 0.159 3.07 0.616 0.092 Sol_TF_8 6 63.52 63.60 262.46 0.438 0.000 0.310 3.03 0.610 0.101 Sol_TF_8 7 63.52 63.60 262.46 0.503 0.000 0.230 2.91 0.614 0.105 Sol_TF_8 8 63.52 63.60 262.46 0.764 0.000 0.376 2.70 0.609 0.095 Sol_TF_8 9 63.52 63.60 262.46 0.160 0.000 0.490 2.68 0.620 0.087 Sol_TF_8 10 63.52 63.60 262.46 0.480 0.000 0.334 2.61 0.617 0.091 Sol_--- peak number of Rotation Function : 9 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_9 1 324.21 55.00 139.98 0.074 0.000 0.211 4.39 0.615 0.105 Sol_TF_9 2 324.21 55.00 139.98 0.029 0.000 0.309 3.70 0.606 0.114 Sol_TF_9 3 324.21 55.00 139.98 0.500 0.000 0.312 3.39 0.615 0.104 Sol_TF_9 4 324.21 55.00 139.98 0.464 0.000 0.278 3.01 0.596 0.135 Sol_TF_9 5 324.21 55.00 139.98 0.737 0.000 0.126 2.79 0.604 0.110 Sol_TF_9 6 324.21 55.00 139.98 0.443 0.000 0.220 2.75 0.602 0.121 Sol_TF_9 7 324.21 55.00 139.98 0.091 0.000 0.020 2.60 0.615 0.097 Sol_TF_9 8 324.21 55.00 139.98 0.771 0.000 0.138 2.57 0.601 0.109 Sol_TF_9 9 324.21 55.00 139.98 0.707 0.000 0.127 2.52 0.601 0.110 Sol_TF_9 10 324.21 55.00 139.98 0.430 0.000 0.179 2.47 0.611 0.100 Sol_--- peak number of Rotation Function : 10 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF10 1 315.09 48.05 29.72 0.871 0.000 0.409 4.14 0.629 0.081 Sol_TF10 2 315.09 48.05 29.72 0.086 0.000 0.426 3.36 0.634 0.062 Sol_TF10 3 315.09 48.05 29.72 0.308 0.000 0.063 3.10 0.626 0.081 Sol_TF10 4 315.09 48.05 29.72 0.130 0.000 0.479 3.04 0.635 0.063 Sol_TF10 5 315.09 48.05 29.72 0.117 0.000 0.431 2.76 0.641 0.050 Sol_TF10 6 315.09 48.05 29.72 0.232 0.000 0.022 2.73 0.627 0.089 Sol_TF10 7 315.09 48.05 29.72 0.143 0.000 0.418 2.68 0.625 0.069 Sol_TF10 8 315.09 48.05 29.72 0.229 0.000 0.375 2.68 0.622 0.071 Sol_TF10 9 315.09 48.05 29.72 0.410 0.000 0.351 2.63 0.628 0.074 Sol_TF10 10 315.09 48.05 29.72 0.350 0.000 0.500 2.56 0.625 0.086 Sol_ Sol_Mon_1_Rf_5_Tf_5 159.29 62.54 183.94 0.417 0.000 0.086 0.600 0.139 Sol_ Sol_ Number of monomers in fixed model_2 : 1 Sol_ Sol_--- peak number of Rotation Function : 1 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_1 1 28.43 60.55 182.52 0.095 0.130 0.316 5.41 0.607 0.149 Sol_TF_1 2 28.43 60.55 182.52 0.094 0.885 0.315 5.29 0.601 0.149 Sol_TF_1 3 28.43 60.55 182.52 0.209 0.000 0.708 5.06 0.603 0.143 Sol_TF_1 4 28.43 60.55 182.52 0.772 0.767 0.479 5.00 0.595 0.152 Sol_TF_1 5 28.43 60.55 182.52 0.760 0.946 0.580 4.91 0.595 0.163 Sol_TF_1 6 28.43 60.55 182.52 0.091 0.923 0.804 4.91 0.600 0.157 Sol_TF_1 7 28.43 60.55 182.52 0.765 0.314 0.686 4.81 0.608 0.139 Sol_TF_1 8 28.43 60.55 182.52 0.778 0.876 0.487 4.76 0.602 0.142 Sol_TF_1 9 28.43 60.55 182.52 0.521 0.432 0.878 4.73 0.612 0.137 Sol_TF_1 10 28.43 60.55 182.52 0.375 0.377 0.865 4.70 0.601 0.150 Sol_--- peak number of Rotation Function : 2 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_2 1 40.01 72.37 274.52 0.632 0.430 0.403 5.92 0.616 0.115 Sol_TF_2 2 40.01 72.37 274.52 0.770 0.147 0.722 5.55 0.594 0.156 Sol_TF_2 3 40.01 72.37 274.52 0.287 0.287 0.517 5.45 0.592 0.154 Sol_TF_2 4 40.01 72.37 274.52 0.133 0.162 0.405 5.42 0.596 0.154 Sol_TF_2 5 40.01 72.37 274.52 0.609 0.340 0.439 5.40 0.611 0.130 Sol_TF_2 6 40.01 72.37 274.52 0.895 0.016 0.894 5.22 0.604 0.138 Sol_TF_2 7 40.01 72.37 274.52 0.193 0.210 0.826 5.20 0.594 0.161 Sol_TF_2 8 40.01 72.37 274.52 0.480 0.781 0.187 5.16 0.608 0.123 Sol_TF_2 9 40.01 72.37 274.52 0.362 0.379 0.990 5.15 0.602 0.141 Sol_TF_2 10 40.01 72.37 274.52 0.791 0.243 0.017 5.14 0.599 0.146 Sol_--- peak number of Rotation Function : 3 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_3 1 318.12 59.29 277.07 0.015 0.980 0.748 5.60 0.600 0.143 Sol_TF_3 2 318.12 59.29 277.07 0.690 0.683 0.155 5.36 0.589 0.158 Sol_TF_3 3 318.12 59.29 277.07 0.305 0.538 0.897 5.35 0.602 0.140 Sol_TF_3 4 318.12 59.29 277.07 0.334 0.082 0.482 5.08 0.573 0.181 Sol_TF_3 5 318.12 59.29 277.07 0.829 0.241 0.224 5.03 0.587 0.151 Sol_TF_3 6 318.12 59.29 277.07 0.189 0.250 0.157 4.92 0.589 0.155 Sol_TF_3 7 318.12 59.29 277.07 0.833 0.168 0.483 4.71 0.599 0.135 Sol_TF_3 8 318.12 59.29 277.07 0.402 0.428 0.269 4.70 0.596 0.129 Sol_TF_3 9 318.12 59.29 277.07 0.540 0.344 0.192 4.69 0.596 0.145 Sol_TF_3 10 318.12 59.29 277.07 0.339 0.495 0.990 4.67 0.592 0.139 Sol_--- peak number of Rotation Function : 4 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_4 1 326.86 62.97 249.51 0.812 0.731 0.550 6.01 0.593 0.155 Sol_TF_4 2 326.86 62.97 249.51 0.153 0.489 0.408 5.83 0.611 0.131 Sol_TF_4 3 326.86 62.97 249.51 0.813 0.133 0.550 5.61 0.601 0.139 Sol_TF_4 4 326.86 62.97 249.51 0.000 0.943 0.835 4.98 0.607 0.131 Sol_TF_4 5 326.86 62.97 249.51 0.450 0.573 0.139 4.95 0.604 0.135 Sol_TF_4 6 326.86 62.97 249.51 0.152 0.097 0.410 4.91 0.612 0.119 Sol_TF_4 7 326.86 62.97 249.51 0.716 0.039 0.783 4.87 0.612 0.121 Sol_TF_4 8 326.86 62.97 249.51 0.377 0.449 0.967 4.86 0.603 0.139 Sol_TF_4 9 326.86 62.97 249.51 0.245 0.432 0.874 4.78 0.609 0.122 Sol_TF_4 10 326.86 62.97 249.51 0.812 0.246 0.549 4.73 0.599 0.132 Sol_--- peak number of Rotation Function : 5 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_5 1 159.29 62.54 183.94 0.340 0.000 0.293 6.63 0.699 0.110 Sol_TF_5 2 159.29 62.54 183.94 0.916 0.000 0.585 6.31 0.861 0.085 Sol_TF_5 3 159.29 62.54 183.94 0.827 0.676 0.030 5.71 0.634 0.146 Sol_TF_5 4 159.29 62.54 183.94 0.840 0.872 0.290 5.67 0.641 0.138 Sol_TF_5 5 159.29 62.54 183.94 0.841 0.010 0.793 5.62 0.677 0.110 Sol_TF_5 6 159.29 62.54 183.94 0.340 0.494 0.293 5.61 0.693 0.096 Sol_TF_5 7 159.29 62.54 183.94 0.841 0.128 0.289 5.50 0.633 0.145 Sol_TF_5 8 159.29 62.54 183.94 0.416 0.054 0.589 5.27 0.667 0.143 Sol_TF_5 9 159.29 62.54 183.94 0.916 0.446 0.586 5.18 0.681 0.135 Sol_TF_5 10 159.29 62.54 183.94 0.099 0.168 0.251 5.15 0.636 0.132 Sol_--- peak number of Rotation Function : 6 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_6 1 314.61 62.89 268.26 0.049 0.165 0.187 5.76 0.603 0.132 Sol_TF_6 2 314.61 62.89 268.26 0.089 0.283 0.280 5.15 0.607 0.130 Sol_TF_6 3 314.61 62.89 268.26 0.763 0.165 0.159 4.90 0.599 0.133 Sol_TF_6 4 314.61 62.89 268.26 0.550 0.234 0.683 4.85 0.602 0.135 Sol_TF_6 5 314.61 62.89 268.26 0.826 0.353 0.575 4.68 0.596 0.150 Sol_TF_6 6 314.61 62.89 268.26 0.770 0.022 0.302 4.65 0.599 0.143 Sol_TF_6 7 314.61 62.89 268.26 0.722 0.000 0.805 4.61 0.595 0.152 Sol_TF_6 8 314.61 62.89 268.26 0.550 0.370 0.687 4.60 0.602 0.135 Sol_TF_6 9 314.61 62.89 268.26 0.090 0.123 0.146 4.55 0.595 0.130 Sol_TF_6 10 314.61 62.89 268.26 0.694 0.457 0.513 4.51 0.602 0.127 Sol_--- peak number of Rotation Function : 7 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_7 1 231.04 37.86 263.69 0.381 0.195 0.542 5.47 0.607 0.138 Sol_TF_7 2 231.04 37.86 263.69 0.844 0.761 0.345 5.37 0.619 0.107 Sol_TF_7 3 231.04 37.86 263.69 0.354 0.265 0.844 5.34 0.613 0.120 Sol_TF_7 4 231.04 37.86 263.69 0.332 0.013 0.593 5.24 0.609 0.138 Sol_TF_7 5 231.04 37.86 263.69 0.348 0.635 0.844 5.23 0.611 0.121 Sol_TF_7 6 231.04 37.86 263.69 0.170 0.074 0.815 5.17 0.603 0.144 Sol_TF_7 7 231.04 37.86 263.69 0.850 0.374 0.343 5.16 0.614 0.114 Sol_TF_7 8 231.04 37.86 263.69 0.813 0.137 0.051 5.12 0.607 0.140 Sol_TF_7 9 231.04 37.86 263.69 0.349 0.391 0.844 5.08 0.603 0.135 Sol_TF_7 10 231.04 37.86 263.69 0.381 0.736 0.542 5.06 0.609 0.129 Sol_--- peak number of Rotation Function : 8 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_8 1 63.52 63.60 262.46 0.694 0.201 0.100 5.69 0.606 0.153 Sol_TF_8 2 63.52 63.60 262.46 0.236 0.697 0.072 5.61 0.592 0.156 Sol_TF_8 3 63.52 63.60 262.46 0.442 0.887 0.312 5.50 0.595 0.158 Sol_TF_8 4 63.52 63.60 262.46 0.472 0.395 0.195 5.48 0.599 0.141 Sol_TF_8 5 63.52 63.60 262.46 0.762 0.678 0.876 5.33 0.596 0.143 Sol_TF_8 6 63.52 63.60 262.46 0.120 0.882 0.346 5.16 0.606 0.136 Sol_TF_8 7 63.52 63.60 262.46 0.180 0.383 0.667 5.00 0.607 0.124 Sol_TF_8 8 63.52 63.60 262.46 0.905 0.249 0.656 4.99 0.602 0.137 Sol_TF_8 9 63.52 63.60 262.46 0.761 0.208 0.378 4.93 0.598 0.145 Sol_TF_8 10 63.52 63.60 262.46 0.438 0.575 0.810 4.90 0.589 0.157 Sol_--- peak number of Rotation Function : 9 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_9 1 324.21 55.00 139.98 0.574 0.302 0.710 6.16 0.596 0.145 Sol_TF_9 2 324.21 55.00 139.98 0.074 0.990 0.213 6.03 0.607 0.138 Sol_TF_9 3 324.21 55.00 139.98 0.075 0.982 0.711 5.92 0.601 0.143 Sol_TF_9 4 324.21 55.00 139.98 0.763 0.069 0.117 5.48 0.588 0.161 Sol_TF_9 5 324.21 55.00 139.98 0.257 0.122 0.742 4.93 0.587 0.157 Sol_TF_9 6 324.21 55.00 139.98 0.706 0.480 0.627 4.92 0.600 0.150 Sol_TF_9 7 324.21 55.00 139.98 0.775 0.345 0.650 4.85 0.598 0.152 Sol_TF_9 8 324.21 55.00 139.98 0.075 0.177 0.710 4.79 0.601 0.138 Sol_TF_9 9 324.21 55.00 139.98 0.575 0.299 0.212 4.77 0.603 0.132 Sol_TF_9 10 324.21 55.00 139.98 0.270 0.119 0.776 4.77 0.601 0.140 Sol_--- peak number of Rotation Function : 10 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF10 1 315.09 48.05 29.72 0.119 0.978 0.928 4.94 0.602 0.149 Sol_TF10 2 315.09 48.05 29.72 0.585 0.366 0.924 4.84 0.599 0.144 Sol_TF10 3 315.09 48.05 29.72 0.370 0.466 0.411 4.77 0.601 0.133 Sol_TF10 4 315.09 48.05 29.72 0.140 0.866 0.795 4.75 0.614 0.137 Sol_TF10 5 315.09 48.05 29.72 0.862 0.169 0.923 4.70 0.620 0.105 Sol_TF10 6 315.09 48.05 29.72 0.871 0.082 0.409 4.64 0.607 0.126 Sol_TF10 7 315.09 48.05 29.72 0.364 0.177 0.423 4.63 0.607 0.128 Sol_TF10 8 315.09 48.05 29.72 0.141 0.225 0.912 4.60 0.603 0.136 Sol_TF10 9 315.09 48.05 29.72 0.118 0.226 0.905 4.60 0.608 0.128 Sol_TF10 10 315.09 48.05 29.72 0.863 0.321 0.424 4.59 0.599 0.126 Sol_ Sol_Mon_2_Rf_3_Tf_4 318.12 59.29 277.07 0.334 0.082 0.482 0.573 0.181 Sol_ Sol_ Number of monomers in fixed model_2 : 2 Sol_ Sol_--- peak number of Rotation Function : 1 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_1 1 28.43 60.55 182.52 0.095 0.932 0.814 6.62 0.578 0.189 Sol_TF_1 2 28.43 60.55 182.52 0.000 0.184 0.840 6.32 0.576 0.187 Sol_TF_1 3 28.43 60.55 182.52 0.366 0.590 0.429 6.00 0.581 0.187 Sol_TF_1 4 28.43 60.55 182.52 0.554 0.436 0.218 5.82 0.589 0.176 Sol_TF_1 5 28.43 60.55 182.52 0.980 0.266 0.684 5.77 0.587 0.170 Sol_TF_1 6 28.43 60.55 182.52 0.519 0.654 0.878 5.73 0.577 0.182 Sol_TF_1 7 28.43 60.55 182.52 0.440 0.473 0.832 5.56 0.582 0.193 Sol_TF_1 8 28.43 60.55 182.52 0.052 0.311 0.716 5.46 0.584 0.181 Sol_TF_1 9 28.43 60.55 182.52 0.678 0.312 0.117 5.35 0.577 0.180 Sol_TF_1 10 28.43 60.55 182.52 0.756 0.310 0.657 5.29 0.587 0.173 Sol_--- peak number of Rotation Function : 2 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_2 1 40.01 72.37 274.52 0.693 0.226 0.044 7.85 0.582 0.192 Sol_TF_2 2 40.01 72.37 274.52 0.827 0.256 0.712 7.70 0.582 0.175 Sol_TF_2 3 40.01 72.37 274.52 0.787 0.782 0.018 7.55 0.587 0.176 Sol_TF_2 4 40.01 72.37 274.52 0.361 0.376 0.990 7.07 0.581 0.179 Sol_TF_2 5 40.01 72.37 274.52 0.603 0.481 0.209 7.03 0.591 0.166 Sol_TF_2 6 40.01 72.37 274.52 0.131 0.077 0.905 6.73 0.588 0.162 Sol_TF_2 7 40.01 72.37 274.52 0.342 0.259 0.000 6.61 0.582 0.168 Sol_TF_2 8 40.01 72.37 274.52 0.410 0.371 0.799 6.15 0.578 0.188 Sol_TF_2 9 40.01 72.37 274.52 0.690 0.299 0.151 6.06 0.590 0.179 Sol_TF_2 10 40.01 72.37 274.52 0.127 0.135 0.395 6.00 0.587 0.174 Sol_--- peak number of Rotation Function : 3 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_3 1 318.12 59.29 277.07 0.159 0.079 0.826 7.34 0.603 0.157 Sol_TF_3 2 318.12 59.29 277.07 0.833 0.049 0.983 7.03 0.592 0.165 Sol_TF_3 3 318.12 59.29 277.07 0.805 0.049 0.897 6.81 0.596 0.174 Sol_TF_3 4 318.12 59.29 277.07 0.480 0.804 0.311 6.70 0.592 0.168 Sol_TF_3 5 318.12 59.29 277.07 0.660 0.430 0.822 6.60 0.594 0.172 Sol_TF_3 6 318.12 59.29 277.07 0.256 0.082 0.700 6.52 0.604 0.157 Sol_TF_3 7 318.12 59.29 277.07 0.361 0.374 0.166 6.35 0.589 0.165 Sol_TF_3 8 318.12 59.29 277.07 0.330 0.757 0.233 6.33 0.584 0.184 Sol_TF_3 9 318.12 59.29 277.07 0.334 0.577 0.481 6.29 0.621 0.154 Sol_TF_3 10 318.12 59.29 277.07 0.083 0.851 0.780 6.23 0.583 0.174 Sol_--- peak number of Rotation Function : 4 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_4 1 326.86 62.97 249.51 0.830 0.074 0.160 6.59 0.593 0.165 Sol_TF_4 2 326.86 62.97 249.51 0.889 0.054 0.862 6.09 0.588 0.177 Sol_TF_4 3 326.86 62.97 249.51 0.117 0.065 0.214 5.99 0.578 0.174 Sol_TF_4 4 326.86 62.97 249.51 0.927 0.065 0.793 5.97 0.581 0.177 Sol_TF_4 5 326.86 62.97 249.51 0.973 0.000 0.185 5.97 0.582 0.168 Sol_TF_4 6 326.86 62.97 249.51 0.953 0.016 0.574 5.82 0.587 0.176 Sol_TF_4 7 326.86 62.97 249.51 0.504 0.446 0.848 5.81 0.592 0.171 Sol_TF_4 8 326.86 62.97 249.51 0.425 0.458 0.101 5.78 0.581 0.189 Sol_TF_4 9 326.86 62.97 249.51 0.575 0.440 0.954 5.77 0.580 0.181 Sol_TF_4 10 326.86 62.97 249.51 0.154 0.107 0.905 5.58 0.589 0.157 Sol_--- peak number of Rotation Function : 5 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_5 1 159.29 62.54 183.94 0.840 0.013 0.292 7.40 0.603 0.164 Sol_TF_5 2 159.29 62.54 183.94 0.340 0.389 0.291 7.16 0.593 0.174 Sol_TF_5 3 159.29 62.54 183.94 0.408 0.284 0.833 6.98 0.595 0.170 Sol_TF_5 4 159.29 62.54 183.94 0.841 0.139 0.290 6.98 0.591 0.171 Sol_TF_5 5 159.29 62.54 183.94 0.329 0.286 0.028 6.89 0.594 0.175 Sol_TF_5 6 159.29 62.54 183.94 0.624 0.305 0.181 6.77 0.596 0.175 Sol_TF_5 7 159.29 62.54 183.94 0.416 0.418 0.084 6.76 0.603 0.161 Sol_TF_5 8 159.29 62.54 183.94 0.097 0.172 0.253 6.75 0.590 0.180 Sol_TF_5 9 159.29 62.54 183.94 0.118 0.914 0.168 6.72 0.597 0.169 Sol_TF_5 10 159.29 62.54 183.94 0.118 0.084 0.168 6.59 0.604 0.158 Sol_--- peak number of Rotation Function : 6 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_6 1 314.61 62.89 268.26 0.049 0.149 0.188 6.71 0.589 0.176 Sol_TF_6 2 314.61 62.89 268.26 0.092 0.158 0.277 6.56 0.581 0.185 Sol_TF_6 3 314.61 62.89 268.26 0.551 0.366 0.687 6.49 0.588 0.172 Sol_TF_6 4 314.61 62.89 268.26 0.339 0.200 0.833 6.33 0.582 0.182 Sol_TF_6 5 314.61 62.89 268.26 0.050 0.948 0.184 5.89 0.580 0.178 Sol_TF_6 6 314.61 62.89 268.26 0.074 0.950 0.240 5.75 0.591 0.174 Sol_TF_6 7 314.61 62.89 268.26 0.090 0.125 0.147 5.68 0.590 0.172 Sol_TF_6 8 314.61 62.89 268.26 0.680 0.424 0.729 5.56 0.578 0.189 Sol_TF_6 9 314.61 62.89 268.26 0.050 0.191 0.685 5.52 0.586 0.173 Sol_TF_6 10 314.61 62.89 268.26 0.050 0.310 0.687 5.50 0.594 0.155 Sol_--- peak number of Rotation Function : 7 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_7 1 231.04 37.86 263.69 0.357 0.265 0.844 7.94 0.584 0.177 Sol_TF_7 2 231.04 37.86 263.69 0.354 0.384 0.845 6.97 0.585 0.178 Sol_TF_7 3 231.04 37.86 263.69 0.074 0.990 0.176 6.85 0.582 0.185 Sol_TF_7 4 231.04 37.86 263.69 0.470 0.331 0.229 6.80 0.582 0.172 Sol_TF_7 5 231.04 37.86 263.69 0.175 0.081 0.818 6.79 0.579 0.195 Sol_TF_7 6 231.04 37.86 263.69 0.116 0.144 0.626 6.70 0.585 0.182 Sol_TF_7 7 231.04 37.86 263.69 0.787 0.145 0.206 6.59 0.584 0.184 Sol_TF_7 8 231.04 37.86 263.69 0.879 0.131 0.087 6.30 0.582 0.178 Sol_TF_7 9 231.04 37.86 263.69 0.381 0.497 0.041 6.28 0.587 0.172 Sol_TF_7 10 231.04 37.86 263.69 0.371 0.396 0.094 6.25 0.581 0.178 Sol_--- peak number of Rotation Function : 8 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_8 1 63.52 63.60 262.46 0.697 0.196 0.099 7.57 0.584 0.195 Sol_TF_8 2 63.52 63.60 262.46 0.187 0.040 0.923 7.32 0.580 0.190 Sol_TF_8 3 63.52 63.60 262.46 0.478 0.396 0.196 7.21 0.582 0.179 Sol_TF_8 4 63.52 63.60 262.46 0.407 0.402 0.333 7.14 0.584 0.192 Sol_TF_8 5 63.52 63.60 262.46 0.265 0.182 0.875 6.97 0.579 0.185 Sol_TF_8 6 63.52 63.60 262.46 0.407 0.764 0.657 6.59 0.578 0.181 Sol_TF_8 7 63.52 63.60 262.46 0.939 0.151 0.157 6.40 0.593 0.172 Sol_TF_8 8 63.52 63.60 262.46 0.080 0.892 0.804 6.30 0.585 0.171 Sol_TF_8 9 63.52 63.60 262.46 0.728 0.077 0.111 6.09 0.580 0.183 Sol_TF_8 10 63.52 63.60 262.46 0.738 0.217 0.593 6.08 0.595 0.167 Sol_--- peak number of Rotation Function : 9 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF_9 1 324.21 55.00 139.98 0.292 0.280 0.949 6.96 0.581 0.183 Sol_TF_9 2 324.21 55.00 139.98 0.902 0.163 0.191 6.75 0.574 0.195 Sol_TF_9 3 324.21 55.00 139.98 0.074 0.961 0.711 6.69 0.587 0.174 Sol_TF_9 4 324.21 55.00 139.98 0.765 0.888 0.757 6.38 0.588 0.172 Sol_TF_9 5 324.21 55.00 139.98 0.778 0.343 0.648 6.31 0.591 0.178 Sol_TF_9 6 324.21 55.00 139.98 0.574 0.314 0.711 6.29 0.584 0.178 Sol_TF_9 7 324.21 55.00 139.98 0.079 0.114 0.343 6.28 0.581 0.177 Sol_TF_9 8 324.21 55.00 139.98 0.117 0.103 0.439 6.26 0.577 0.191 Sol_TF_9 9 324.21 55.00 139.98 0.196 0.135 0.728 5.98 0.582 0.179 Sol_TF_9 10 324.21 55.00 139.98 0.906 0.320 0.206 5.88 0.580 0.186 Sol_--- peak number of Rotation Function : 10 alpha beta gamma Xfrac Yfrac Zfrac TF/sig R-fac Corr Sol_TF10 1 315.09 48.05 29.72 0.388 0.677 0.000 6.70 0.577 0.180 Sol_TF10 2 315.09 48.05 29.72 0.871 0.113 0.407 6.51 0.581 0.173 Sol_TF10 3 315.09 48.05 29.72 0.480 0.431 0.676 6.27 0.592 0.169 Sol_TF10 4 315.09 48.05 29.72 0.124 0.970 0.940 6.21 0.582 0.190 Sol_TF10 5 315.09 48.05 29.72 0.980 0.162 0.677 6.18 0.576 0.182 Sol_TF10 6 315.09 48.05 29.72 0.141 0.866 0.793 6.05 0.587 0.174 Sol_TF10 7 315.09 48.05 29.72 0.228 0.125 0.877 6.04 0.584 0.175 Sol_TF10 8 315.09 48.05 29.72 0.815 0.538 0.714 6.00 0.588 0.178 Sol_TF10 9 315.09 48.05 29.72 0.834 0.051 0.019 5.77 0.580 0.180 Sol_TF10 10 315.09 48.05 29.72 0.087 0.204 0.422 5.76 0.583 0.185 Sol_ Sol_Mon_3_Rf_7_Tf_5 231.04 37.86 263.69 0.175 0.081 0.818 0.579 0.195 --- convert "molrep.crd" to "molrep.pdb" --- MOLREP(ccp4)7.4.03: Normal termination Times: User: 36.2s System: 2.3s Elapsed: 1:24 #CCP4I TERMINATION STATUS 1 #CCP4I TERMINATION TIME 24 Jul 2003 12:14:59 #CCP4I TERMINATION OUTPUT_FILES /y/people/mgwt/TEST/2003test_157_molrep.doc 2003test /y/people/mgwt/TEST/2003test_157_rf.molrep_rf 2003test #CCP4I MESSAGE Task completed successfully