File: C1050fitting.log

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file content (153 lines) | stat: -rw-r--r-- 5,865 bytes parent folder | download | duplicates (7)
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the 1st random number should be    0.052
otherwise the rest of the test is meaningless...

 Selector: found 107 atoms.
 Executive: object "trg" created.
 AlterState: modified 107 atom coordinate states.
 Selector: found 107 atoms.
 AlterState: modified 107 atom coordinate states.
 Selector: found 107 atoms.
 AlterState: modified 107 atom coordinate states.
 Selector: found 107 atoms.
 AlterState: modified 107 atom coordinate states.
 Selector: found 107 atoms.
 AlterState: modified 107 atom coordinate states.
 Selector: found 107 atoms.
 AlterState: modified 107 atom coordinate states.
 Selector: found 107 atoms.
 AlterState: modified 107 atom coordinate states.
 Selector: found 107 atoms.
 AlterState: modified 107 atom coordinate states.
 Selector: found 107 atoms.
 AlterState: modified 107 atom coordinate states.
 Selector: found 107 atoms.
 AlterState: modified 107 atom coordinate states.
   0.080
1    0.073    0.080    0.198
2    0.058    0.080    0.220
3    0.053    0.080    0.320
4    0.088    0.080    0.105
5    0.052    0.080    0.138
6    0.081    0.080    0.147
7    0.035    0.080    1.396
8    0.059    0.080    0.108
9    0.098    0.080    0.113
10    0.072    0.080    0.121
11    0.056    0.080    0.119
12    0.075    0.080    0.203
13    0.078    0.080    0.341
   0.080
1    0.073    0.080    0.198
2    0.058    0.080    0.220
3    0.053    0.080    0.320
4    0.088    0.080    0.105
5    0.052    0.080    0.138
6    0.081    0.080    0.147
7    0.035    0.080    1.396
8    0.059    0.080    0.108
9    0.098    0.080    0.113
10    0.072    0.080    0.121
11    0.056    0.080    0.119
12    0.075    0.080    0.203
13    0.078    0.080    0.341
   0.080
 -1.000   0.274   0.302   0.275   0.256   0.305   0.351   0.266   0.260
  0.329
 -1.000   0.372   0.356   0.340   0.338   0.346   0.346   0.355   0.354
  0.358
 -1.000   1.672   1.481   0.691   1.952   2.292   1.546   1.670   1.143
  1.372
  0.274  -1.000   0.305   0.308   0.227   0.329   0.320   0.309   0.269
  0.266
  0.372  -1.000   0.355   0.364   0.357   0.341   0.346   0.358   0.358
  0.357
  1.672  -1.000   0.740   1.325   0.924   0.842   1.237   0.692   0.872
  0.853
  0.302   0.305  -1.000   0.223   0.254   0.289   0.376   0.329   0.303
  0.355
  0.356   0.355  -1.000   0.363   0.338   0.343   0.331   0.362   0.343
  0.348
  1.481   0.740  -1.000   1.077   0.487   1.003   0.555   0.982   0.837
  0.963
  0.275   0.308   0.223  -1.000   0.211   0.325   0.358   0.303   0.271
  0.359
  0.340   0.364   0.363  -1.000   0.344   0.355   0.366   0.361   0.353
  0.356
  0.691   1.325   1.077  -1.000   1.309   1.795   0.834   1.378   0.874
  1.113
  0.256   0.227   0.254   0.211  -1.000   0.259   0.234   0.263   0.240
  0.300
  0.338   0.357   0.338   0.344  -1.000   0.346   0.334   0.344   0.338
  0.341
  1.952   0.924   0.487   1.309  -1.000   0.802   0.783   1.259   1.299
  1.292
  0.305   0.329   0.289   0.325   0.259  -1.000   0.280   0.359   0.292
  0.304
  0.346   0.341   0.343   0.355   0.346  -1.000   0.334   0.356   0.340
  0.346
  2.292   0.842   1.003   1.795   0.802  -1.000   1.352   1.063   1.420
  1.249
  0.351   0.320   0.376   0.358   0.234   0.280  -1.000   0.365   0.321
  0.301
  0.346   0.346   0.331   0.366   0.334   0.334  -1.000   0.352   0.357
  0.350
  1.546   1.237   0.555   0.834   0.783   1.352  -1.000   1.471   1.244
  1.364
  0.266   0.309   0.329   0.303   0.263   0.359   0.365  -1.000   0.262
  0.342
  0.355   0.358   0.362   0.361   0.344   0.356   0.352  -1.000   0.351
  0.350
  1.670   0.692   0.982   1.378   1.259   1.063   1.471  -1.000   0.748
  0.473
  0.260   0.269   0.303   0.271   0.240   0.292   0.321   0.262  -1.000
  0.354
  0.354   0.358   0.343   0.353   0.338   0.340   0.357   0.351  -1.000
  0.354
  1.143   0.872   0.837   0.874   1.299   1.420   1.244   0.748  -1.000
  0.526
  0.329   0.266   0.355   0.359   0.300   0.304   0.301   0.342   0.354
 -1.000
  0.358   0.357   0.348   0.356   0.341   0.346   0.350   0.350   0.354
 -1.000
  1.372   0.853   0.963   1.113   1.292   1.249   1.364   0.473   0.526
 -1.000
PyMOL>intra_fit (trg),10
 cmd.intra_fit: 0.358 in state 1 vs state 10
 cmd.intra_fit: 0.357 in state 2 vs state 10
 cmd.intra_fit: 0.348 in state 3 vs state 10
 cmd.intra_fit: 0.356 in state 4 vs state 10
 cmd.intra_fit: 0.341 in state 5 vs state 10
 cmd.intra_fit: 0.346 in state 6 vs state 10
 cmd.intra_fit: 0.350 in state 7 vs state 10
 cmd.intra_fit: 0.350 in state 8 vs state 10
 cmd.intra_fit: 0.354 in state 9 vs state 10
PyMOL>intra_fit (trg and resi 1),10
 cmd.intra_fit: 0.329 in state 1 vs state 10
 cmd.intra_fit: 0.266 in state 2 vs state 10
 cmd.intra_fit: 0.355 in state 3 vs state 10
 cmd.intra_fit: 0.359 in state 4 vs state 10
 cmd.intra_fit: 0.300 in state 5 vs state 10
 cmd.intra_fit: 0.304 in state 6 vs state 10
 cmd.intra_fit: 0.301 in state 7 vs state 10
 cmd.intra_fit: 0.342 in state 8 vs state 10
 cmd.intra_fit: 0.354 in state 9 vs state 10
PyMOL>intra_rms (trg),10
 cmd.intra_rms: 0.358 in state 1 vs state 10
 cmd.intra_rms: 0.357 in state 2 vs state 10
 cmd.intra_rms: 0.348 in state 3 vs state 10
 cmd.intra_rms: 0.356 in state 4 vs state 10
 cmd.intra_rms: 0.341 in state 5 vs state 10
 cmd.intra_rms: 0.346 in state 6 vs state 10
 cmd.intra_rms: 0.350 in state 7 vs state 10
 cmd.intra_rms: 0.350 in state 8 vs state 10
 cmd.intra_rms: 0.354 in state 9 vs state 10
PyMOL>intra_rms_cur (trg),10
 cmd.intra_rms_cur: 1.372 in state 1 vs state 10
 cmd.intra_rms_cur: 0.853 in state 2 vs state 10
 cmd.intra_rms_cur: 0.963 in state 3 vs state 10
 cmd.intra_rms_cur: 1.113 in state 4 vs state 10
 cmd.intra_rms_cur: 1.292 in state 5 vs state 10
 cmd.intra_rms_cur: 1.249 in state 6 vs state 10
 cmd.intra_rms_cur: 1.364 in state 7 vs state 10
 cmd.intra_rms_cur: 0.473 in state 8 vs state 10
 cmd.intra_rms_cur: 0.526 in state 9 vs state 10