Opened 2 years ago

Closed 2 years ago

Last modified 2 years ago

#9750 closed defect (limitation)

Write GLB: Python int too large to convert to C long

Reported by: u34216@… Owned by: Tom Goddard
Priority: normal Milestone:
Component: Input/Output Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        Windows-10-10.0.19045
ChimeraX Version: 1.6.1 (2023-05-09 17:57:07 UTC)
Description
Tried to export 3D Model as .glb. No special settings. Just entered a filename and hit save.

Log:
UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open
> C:\Users\lukas\Downloads\312er_Dzn_ref_swissdockd_6iPgjj_1XY8F9KFMAKB7TBGVD9I.cxs
> format session

Log from Thu Oct 28 15:33:39 2021UCSF ChimeraX version: 1.2.5 (2021-05-24)  
© 2016-2021 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open "C:\\\Users\\\AG Falcone ADMIN\\\Desktop\\\data\\\ALDH\\\MWs ALDH
> drugs\\\docking\\\SwissDock\\\312er_Dzn_ref_swissdockd_6iPgjj_1XY8F9KFMAKB7TBGVD9I\\\target.pdb"

Summary of feedback from opening C:\\\Users\\\AG Falcone
ADMIN\\\Desktop\\\data\\\ALDH\\\MWs ALDH
drugs\\\docking\\\SwissDock\\\312er_Dzn_ref_swissdockd_6iPgjj_1XY8F9KFMAKB7TBGVD9I\\\target.pdb  
---  
warnings | Ignored bad PDB record found on line 1  
REMARK PYCHARMM CRD  
  
Ignored bad PDB record found on line 2  
REMARK DATE: 10/28/21 11:52:30 CREATED BY USER: vzoete  
  
Chain information for target.pdb #1  
---  
Chain | Description  
? | No description available  
  

> open "C:/Users/AG Falcone ADMIN/Desktop/data/ALDH/MWs ALDH
> drugs/docking/SwissDock/312er_Dzn_ref_swissdockd_6iPgjj_1XY8F9KFMAKB7TBGVD9I/clusters.dock4.pdb"

Summary of feedback from opening C:/Users/AG Falcone
ADMIN/Desktop/data/ALDH/MWs ALDH
drugs/docking/SwissDock/312er_Dzn_ref_swissdockd_6iPgjj_1XY8F9KFMAKB7TBGVD9I/clusters.dock4.pdb  
---  
warnings | Ignored bad PDB record found on line 1  
REMARK Energy: 34.7908  
  
Ignored bad PDB record found on line 2  
REMARK SimpleFitness: 34.7908  
  
Ignored bad PDB record found on line 3  
REMARK FullFitness: -1763.5269  
  
Ignored bad PDB record found on line 4  
REMARK InterFull: -70.0468  
  
Ignored bad PDB record found on line 5  
REMARK IntraFull: 131.783  
  
33 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 141  
REMARK Energy: 37.7919  
  
Ignored bad PDB record found on line 142  
REMARK SimpleFitness: 37.7919  
  
Ignored bad PDB record found on line 143  
REMARK FullFitness: -1756.684  
  
Ignored bad PDB record found on line 144  
REMARK InterFull: -58.5739  
  
Ignored bad PDB record found on line 145  
REMARK IntraFull: 132.166  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 211  
REMARK Energy: 41.0384  
  
Ignored bad PDB record found on line 212  
REMARK SimpleFitness: 41.0384  
  
Ignored bad PDB record found on line 213  
REMARK FullFitness: -1754.5571  
  
Ignored bad PDB record found on line 214  
REMARK InterFull: -63.6092  
  
Ignored bad PDB record found on line 215  
REMARK IntraFull: 136.824  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 281  
REMARK Energy: 41.1163  
  
Ignored bad PDB record found on line 282  
REMARK SimpleFitness: 41.1163  
  
Ignored bad PDB record found on line 283  
REMARK FullFitness: -1752.0302  
  
Ignored bad PDB record found on line 284  
REMARK InterFull: -51.8212  
  
Ignored bad PDB record found on line 285  
REMARK IntraFull: 131.602  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 351  
REMARK Energy: 42.2414  
  
Ignored bad PDB record found on line 352  
REMARK SimpleFitness: 42.2414  
  
Ignored bad PDB record found on line 353  
REMARK FullFitness: -1751.7961  
  
Ignored bad PDB record found on line 354  
REMARK InterFull: -49.446  
  
Ignored bad PDB record found on line 355  
REMARK IntraFull: 134.397  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 421  
REMARK Energy: 42.1388  
  
Ignored bad PDB record found on line 422  
REMARK SimpleFitness: 42.1388  
  
Ignored bad PDB record found on line 423  
REMARK FullFitness: -1749.5256  
  
Ignored bad PDB record found on line 424  
REMARK InterFull: -51.0517  
  
Ignored bad PDB record found on line 425  
REMARK IntraFull: 132.55  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 491  
REMARK Energy: 42.5253  
  
Ignored bad PDB record found on line 492  
REMARK SimpleFitness: 42.5253  
  
Ignored bad PDB record found on line 493  
REMARK FullFitness: -1749.232  
  
Ignored bad PDB record found on line 494  
REMARK InterFull: -51.9411  
  
Ignored bad PDB record found on line 495  
REMARK IntraFull: 137.856  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 561  
REMARK Energy: 44.4522  
  
Ignored bad PDB record found on line 562  
REMARK SimpleFitness: 44.4522  
  
Ignored bad PDB record found on line 563  
REMARK FullFitness: -1747.1274  
  
Ignored bad PDB record found on line 564  
REMARK InterFull: -52.7996  
  
Ignored bad PDB record found on line 565  
REMARK IntraFull: 137.731  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 631  
REMARK Energy: 46.7949  
  
Ignored bad PDB record found on line 632  
REMARK SimpleFitness: 46.7949  
  
Ignored bad PDB record found on line 633  
REMARK FullFitness: -1746.0132  
  
Ignored bad PDB record found on line 634  
REMARK InterFull: -45.2321  
  
Ignored bad PDB record found on line 635  
REMARK IntraFull: 132.62  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 701  
REMARK Energy: 46.8857  
  
Ignored bad PDB record found on line 702  
REMARK SimpleFitness: 46.8857  
  
Ignored bad PDB record found on line 703  
REMARK FullFitness: -1746.013  
  
Ignored bad PDB record found on line 704  
REMARK InterFull: -44.858  
  
Ignored bad PDB record found on line 705  
REMARK IntraFull: 132.309  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 771  
REMARK Energy: 48.7322  
  
Ignored bad PDB record found on line 772  
REMARK SimpleFitness: 48.7322  
  
Ignored bad PDB record found on line 773  
REMARK FullFitness: -1744.8622  
  
Ignored bad PDB record found on line 774  
REMARK InterFull: -53.7452  
  
Ignored bad PDB record found on line 775  
REMARK IntraFull: 139.016  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 841  
REMARK Energy: 31.57  
  
Ignored bad PDB record found on line 842  
REMARK SimpleFitness: 31.57  
  
Ignored bad PDB record found on line 843  
REMARK FullFitness: -1759.3882  
  
Ignored bad PDB record found on line 844  
REMARK InterFull: -62.135  
  
Ignored bad PDB record found on line 845  
REMARK IntraFull: 126.222  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 911  
REMARK Energy: 34.641  
  
Ignored bad PDB record found on line 912  
REMARK SimpleFitness: 34.641  
  
Ignored bad PDB record found on line 913  
REMARK FullFitness: -1757.9728  
  
Ignored bad PDB record found on line 914  
REMARK InterFull: -60.2338  
  
Ignored bad PDB record found on line 915  
REMARK IntraFull: 126.687  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 981  
REMARK Energy: 34.641  
  
Ignored bad PDB record found on line 982  
REMARK SimpleFitness: 34.641  
  
Ignored bad PDB record found on line 983  
REMARK FullFitness: -1757.9728  
  
Ignored bad PDB record found on line 984  
REMARK InterFull: -60.2338  
  
Ignored bad PDB record found on line 985  
REMARK IntraFull: 126.687  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 1051  
REMARK Energy: 34.641  
  
Ignored bad PDB record found on line 1052  
REMARK SimpleFitness: 34.641  
  
Ignored bad PDB record found on line 1053  
REMARK FullFitness: -1757.9728  
  
Ignored bad PDB record found on line 1054  
REMARK InterFull: -60.2338  
  
Ignored bad PDB record found on line 1055  
REMARK IntraFull: 126.687  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 1121  
REMARK Energy: 32.5937  
  
Ignored bad PDB record found on line 1122  
REMARK SimpleFitness: 32.5937  
  
Ignored bad PDB record found on line 1123  
REMARK FullFitness: -1757.8215  
  
Ignored bad PDB record found on line 1124  
REMARK InterFull: -59.4717  
  
Ignored bad PDB record found on line 1125  
REMARK IntraFull: 126.218  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 1191  
REMARK Energy: 35.8523  
  
Ignored bad PDB record found on line 1192  
REMARK SimpleFitness: 35.8523  
  
Ignored bad PDB record found on line 1193  
REMARK FullFitness: -1754.8765  
  
Ignored bad PDB record found on line 1194  
REMARK InterFull: -57.4637  
  
Ignored bad PDB record found on line 1195  
REMARK IntraFull: 127.271  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 1261  
REMARK Energy: 37.4012  
  
Ignored bad PDB record found on line 1262  
REMARK SimpleFitness: 37.4012  
  
Ignored bad PDB record found on line 1263  
REMARK FullFitness: -1751.9725  
  
Ignored bad PDB record found on line 1264  
REMARK InterFull: -56.7766  
  
Ignored bad PDB record found on line 1265  
REMARK IntraFull: 130.781  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 1331  
REMARK Energy: 38.9678  
  
Ignored bad PDB record found on line 1332  
REMARK SimpleFitness: 38.9678  
  
Ignored bad PDB record found on line 1333  
REMARK FullFitness: -1751.9302  
  
Ignored bad PDB record found on line 1334  
REMARK InterFull: -51.0712  
  
Ignored bad PDB record found on line 1335  
REMARK IntraFull: 130.338  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 1401  
REMARK Energy: 38.9678  
  
Ignored bad PDB record found on line 1402  
REMARK SimpleFitness: 38.9678  
  
Ignored bad PDB record found on line 1403  
REMARK FullFitness: -1751.9302  
  
Ignored bad PDB record found on line 1404  
REMARK InterFull: -51.0712  
  
Ignored bad PDB record found on line 1405  
REMARK IntraFull: 130.338  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 1471  
REMARK Energy: 38.9678  
  
Ignored bad PDB record found on line 1472  
REMARK SimpleFitness: 38.9678  
  
Ignored bad PDB record found on line 1473  
REMARK FullFitness: -1751.9302  
  
Ignored bad PDB record found on line 1474  
REMARK InterFull: -51.0712  
  
Ignored bad PDB record found on line 1475  
REMARK IntraFull: 130.338  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 1541  
REMARK Energy: 41.582  
  
Ignored bad PDB record found on line 1542  
REMARK SimpleFitness: 41.582  
  
Ignored bad PDB record found on line 1543  
REMARK FullFitness: -1751.1843  
  
Ignored bad PDB record found on line 1544  
REMARK InterFull: -42.1442  
  
Ignored bad PDB record found on line 1545  
REMARK IntraFull: 128.362  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 1611  
REMARK Energy: 40.1951  
  
Ignored bad PDB record found on line 1612  
REMARK SimpleFitness: 40.1951  
  
Ignored bad PDB record found on line 1613  
REMARK FullFitness: -1751.0002  
  
Ignored bad PDB record found on line 1614  
REMARK InterFull: -52.7171  
  
Ignored bad PDB record found on line 1615  
REMARK IntraFull: 126.55  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 1681  
REMARK Energy: 40.1951  
  
Ignored bad PDB record found on line 1682  
REMARK SimpleFitness: 40.1951  
  
Ignored bad PDB record found on line 1683  
REMARK FullFitness: -1751.0002  
  
Ignored bad PDB record found on line 1684  
REMARK InterFull: -52.7171  
  
Ignored bad PDB record found on line 1685  
REMARK IntraFull: 126.55  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 1751  
REMARK Energy: 39.7168  
  
Ignored bad PDB record found on line 1752  
REMARK SimpleFitness: 39.7168  
  
Ignored bad PDB record found on line 1753  
REMARK FullFitness: -1750.4193  
  
Ignored bad PDB record found on line 1754  
REMARK InterFull: -47.6614  
  
Ignored bad PDB record found on line 1755  
REMARK IntraFull: 126.51  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 1821  
REMARK Energy: 39.7168  
  
Ignored bad PDB record found on line 1822  
REMARK SimpleFitness: 39.7168  
  
Ignored bad PDB record found on line 1823  
REMARK FullFitness: -1750.4193  
  
Ignored bad PDB record found on line 1824  
REMARK InterFull: -47.6614  
  
Ignored bad PDB record found on line 1825  
REMARK IntraFull: 126.51  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 1891  
REMARK Energy: 39.9223  
  
Ignored bad PDB record found on line 1892  
REMARK SimpleFitness: 39.9223  
  
Ignored bad PDB record found on line 1893  
REMARK FullFitness: -1749.9767  
  
Ignored bad PDB record found on line 1894  
REMARK InterFull: -47.3677  
  
Ignored bad PDB record found on line 1895  
REMARK IntraFull: 126.262  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 1961  
REMARK Energy: 39.9223  
  
Ignored bad PDB record found on line 1962  
REMARK SimpleFitness: 39.9223  
  
Ignored bad PDB record found on line 1963  
REMARK FullFitness: -1749.9767  
  
Ignored bad PDB record found on line 1964  
REMARK InterFull: -47.3677  
  
Ignored bad PDB record found on line 1965  
REMARK IntraFull: 126.262  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 2031  
REMARK Energy: 39.9223  
  
Ignored bad PDB record found on line 2032  
REMARK SimpleFitness: 39.9223  
  
Ignored bad PDB record found on line 2033  
REMARK FullFitness: -1749.9767  
  
Ignored bad PDB record found on line 2034  
REMARK InterFull: -47.3677  
  
Ignored bad PDB record found on line 2035  
REMARK IntraFull: 126.262  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 2101  
REMARK Energy: 39.9223  
  
Ignored bad PDB record found on line 2102  
REMARK SimpleFitness: 39.9223  
  
Ignored bad PDB record found on line 2103  
REMARK FullFitness: -1749.9767  
  
Ignored bad PDB record found on line 2104  
REMARK InterFull: -47.3677  
  
Ignored bad PDB record found on line 2105  
REMARK IntraFull: 126.262  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 2171  
REMARK Energy: 41.0902  
  
Ignored bad PDB record found on line 2172  
REMARK SimpleFitness: 41.0902  
  
Ignored bad PDB record found on line 2173  
REMARK FullFitness: -1746.9388  
  
Ignored bad PDB record found on line 2174  
REMARK InterFull: -46.5968  
  
Ignored bad PDB record found on line 2175  
REMARK IntraFull: 126.824  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 2241  
REMARK Energy: 41.0902  
  
Ignored bad PDB record found on line 2242  
REMARK SimpleFitness: 41.0902  
  
Ignored bad PDB record found on line 2243  
REMARK FullFitness: -1746.9388  
  
Ignored bad PDB record found on line 2244  
REMARK InterFull: -46.5968  
  
Ignored bad PDB record found on line 2245  
REMARK IntraFull: 126.824  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 2311  
REMARK Energy: 46.1282  
  
Ignored bad PDB record found on line 2312  
REMARK SimpleFitness: 46.1282  
  
Ignored bad PDB record found on line 2313  
REMARK FullFitness: -1746.7771  
  
Ignored bad PDB record found on line 2314  
REMARK InterFull: -50.6589  
  
Ignored bad PDB record found on line 2315  
REMARK IntraFull: 130.99  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 2381  
REMARK Energy: 38.9712  
  
Ignored bad PDB record found on line 2382  
REMARK SimpleFitness: 38.9712  
  
Ignored bad PDB record found on line 2383  
REMARK FullFitness: -1758.052  
  
Ignored bad PDB record found on line 2384  
REMARK InterFull: -59.553  
  
Ignored bad PDB record found on line 2385  
REMARK IntraFull: 130.972  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 2451  
REMARK Energy: 38.9712  
  
Ignored bad PDB record found on line 2452  
REMARK SimpleFitness: 38.9712  
  
Ignored bad PDB record found on line 2453  
REMARK FullFitness: -1758.052  
  
Ignored bad PDB record found on line 2454  
REMARK InterFull: -59.553  
  
Ignored bad PDB record found on line 2455  
REMARK IntraFull: 130.972  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 2521  
REMARK Energy: 38.9672  
  
Ignored bad PDB record found on line 2522  
REMARK SimpleFitness: 38.9672  
  
Ignored bad PDB record found on line 2523  
REMARK FullFitness: -1758.0422  
  
Ignored bad PDB record found on line 2524  
REMARK InterFull: -59.4112  
  
Ignored bad PDB record found on line 2525  
REMARK IntraFull: 130.881  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 2591  
REMARK Energy: 38.9672  
  
Ignored bad PDB record found on line 2592  
REMARK SimpleFitness: 38.9672  
  
Ignored bad PDB record found on line 2593  
REMARK FullFitness: -1758.0422  
  
Ignored bad PDB record found on line 2594  
REMARK InterFull: -59.4112  
  
Ignored bad PDB record found on line 2595  
REMARK IntraFull: 130.881  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 2661  
REMARK Energy: 38.9672  
  
Ignored bad PDB record found on line 2662  
REMARK SimpleFitness: 38.9672  
  
Ignored bad PDB record found on line 2663  
REMARK FullFitness: -1758.0422  
  
Ignored bad PDB record found on line 2664  
REMARK InterFull: -59.4112  
  
Ignored bad PDB record found on line 2665  
REMARK IntraFull: 130.881  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 2731  
REMARK Energy: 41.1166  
  
Ignored bad PDB record found on line 2732  
REMARK SimpleFitness: 41.1166  
  
Ignored bad PDB record found on line 2733  
REMARK FullFitness: -1752.4124  
  
Ignored bad PDB record found on line 2734  
REMARK InterFull: -48.6083  
  
Ignored bad PDB record found on line 2735  
REMARK IntraFull: 127.677  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 2801  
REMARK Energy: 41.1166  
  
Ignored bad PDB record found on line 2802  
REMARK SimpleFitness: 41.1166  
  
Ignored bad PDB record found on line 2803  
REMARK FullFitness: -1752.4124  
  
Ignored bad PDB record found on line 2804  
REMARK InterFull: -48.6083  
  
Ignored bad PDB record found on line 2805  
REMARK IntraFull: 127.677  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 2871  
REMARK Energy: 41.1166  
  
Ignored bad PDB record found on line 2872  
REMARK SimpleFitness: 41.1166  
  
Ignored bad PDB record found on line 2873  
REMARK FullFitness: -1752.4124  
  
Ignored bad PDB record found on line 2874  
REMARK InterFull: -48.6083  
  
Ignored bad PDB record found on line 2875  
REMARK IntraFull: 127.677  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 2941  
REMARK Energy: 36.3352  
  
Ignored bad PDB record found on line 2942  
REMARK SimpleFitness: 36.3352  
  
Ignored bad PDB record found on line 2943  
REMARK FullFitness: -1755.2196  
  
Ignored bad PDB record found on line 2944  
REMARK InterFull: -70.9164  
  
Ignored bad PDB record found on line 2945  
REMARK IntraFull: 132.552  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 3011  
REMARK Energy: 44.185  
  
Ignored bad PDB record found on line 3012  
REMARK SimpleFitness: 44.185  
  
Ignored bad PDB record found on line 3013  
REMARK FullFitness: -1747.7544  
  
Ignored bad PDB record found on line 3014  
REMARK InterFull: -54.3454  
  
Ignored bad PDB record found on line 3015  
REMARK IntraFull: 126.687  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 3081  
REMARK Energy: 44.4881  
  
Ignored bad PDB record found on line 3082  
REMARK SimpleFitness: 44.4881  
  
Ignored bad PDB record found on line 3083  
REMARK FullFitness: -1747.2354  
  
Ignored bad PDB record found on line 3084  
REMARK InterFull: -59.2344  
  
Ignored bad PDB record found on line 3085  
REMARK IntraFull: 137.551  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 3151  
REMARK Energy: 44.2345  
  
Ignored bad PDB record found on line 3152  
REMARK SimpleFitness: 44.2345  
  
Ignored bad PDB record found on line 3153  
REMARK FullFitness: -1747.1788  
  
Ignored bad PDB record found on line 3154  
REMARK InterFull: -61.8789  
  
Ignored bad PDB record found on line 3155  
REMARK IntraFull: 135.26  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 3221  
REMARK Energy: 43.4778  
  
Ignored bad PDB record found on line 3222  
REMARK SimpleFitness: 43.4778  
  
Ignored bad PDB record found on line 3223  
REMARK FullFitness: -1746.1135  
  
Ignored bad PDB record found on line 3224  
REMARK InterFull: -54.1784  
  
Ignored bad PDB record found on line 3225  
REMARK IntraFull: 134.009  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 3291  
REMARK Energy: 43.4778  
  
Ignored bad PDB record found on line 3292  
REMARK SimpleFitness: 43.4778  
  
Ignored bad PDB record found on line 3293  
REMARK FullFitness: -1746.1135  
  
Ignored bad PDB record found on line 3294  
REMARK InterFull: -54.1784  
  
Ignored bad PDB record found on line 3295  
REMARK IntraFull: 134.009  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 3361  
REMARK Energy: 43.8943  
  
Ignored bad PDB record found on line 3362  
REMARK SimpleFitness: 43.8943  
  
Ignored bad PDB record found on line 3363  
REMARK FullFitness: -1746.0242  
  
Ignored bad PDB record found on line 3364  
REMARK InterFull: -53.7492  
  
Ignored bad PDB record found on line 3365  
REMARK IntraFull: 133.991  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 3431  
REMARK Energy: 43.8943  
  
Ignored bad PDB record found on line 3432  
REMARK SimpleFitness: 43.8943  
  
Ignored bad PDB record found on line 3433  
REMARK FullFitness: -1746.0242  
  
Ignored bad PDB record found on line 3434  
REMARK InterFull: -53.7492  
  
Ignored bad PDB record found on line 3435  
REMARK IntraFull: 133.991  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 3501  
REMARK Energy: 43.8943  
  
Ignored bad PDB record found on line 3502  
REMARK SimpleFitness: 43.8943  
  
Ignored bad PDB record found on line 3503  
REMARK FullFitness: -1746.0242  
  
Ignored bad PDB record found on line 3504  
REMARK InterFull: -53.7492  
  
Ignored bad PDB record found on line 3505  
REMARK IntraFull: 133.991  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 3571  
REMARK Energy: 43.8943  
  
Ignored bad PDB record found on line 3572  
REMARK SimpleFitness: 43.8943  
  
Ignored bad PDB record found on line 3573  
REMARK FullFitness: -1746.0242  
  
Ignored bad PDB record found on line 3574  
REMARK InterFull: -53.7492  
  
Ignored bad PDB record found on line 3575  
REMARK IntraFull: 133.991  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 3641  
REMARK Energy: 44.6125  
  
Ignored bad PDB record found on line 3642  
REMARK SimpleFitness: 44.6125  
  
Ignored bad PDB record found on line 3643  
REMARK FullFitness: -1745.959  
  
Ignored bad PDB record found on line 3644  
REMARK InterFull: -56.657  
  
Ignored bad PDB record found on line 3645  
REMARK IntraFull: 135.208  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 3711  
REMARK Energy: 44.6327  
  
Ignored bad PDB record found on line 3712  
REMARK SimpleFitness: 44.6327  
  
Ignored bad PDB record found on line 3713  
REMARK FullFitness: -1745.9299  
  
Ignored bad PDB record found on line 3714  
REMARK InterFull: -57.7889  
  
Ignored bad PDB record found on line 3715  
REMARK IntraFull: 135.527  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 3781  
REMARK Energy: 45.5126  
  
Ignored bad PDB record found on line 3782  
REMARK SimpleFitness: 45.5126  
  
Ignored bad PDB record found on line 3783  
REMARK FullFitness: -1744.8551  
  
Ignored bad PDB record found on line 3784  
REMARK InterFull: -61.8152  
  
Ignored bad PDB record found on line 3785  
REMARK IntraFull: 141.48  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 3851  
REMARK Energy: 50.4634  
  
Ignored bad PDB record found on line 3852  
REMARK SimpleFitness: 50.4634  
  
Ignored bad PDB record found on line 3853  
REMARK FullFitness: -1743.0537  
  
Ignored bad PDB record found on line 3854  
REMARK InterFull: -46.5888  
  
Ignored bad PDB record found on line 3855  
REMARK IntraFull: 132.266  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 3921  
REMARK Energy: 50.4634  
  
Ignored bad PDB record found on line 3922  
REMARK SimpleFitness: 50.4634  
  
Ignored bad PDB record found on line 3923  
REMARK FullFitness: -1743.0537  
  
Ignored bad PDB record found on line 3924  
REMARK InterFull: -46.5888  
  
Ignored bad PDB record found on line 3925  
REMARK IntraFull: 132.266  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 3991  
REMARK Energy: 37.201  
  
Ignored bad PDB record found on line 3992  
REMARK SimpleFitness: 37.201  
  
Ignored bad PDB record found on line 3993  
REMARK FullFitness: -1754.2607  
  
Ignored bad PDB record found on line 3994  
REMARK InterFull: -65.1099  
  
Ignored bad PDB record found on line 3995  
REMARK IntraFull: 132.988  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 4061  
REMARK Energy: 36.8424  
  
Ignored bad PDB record found on line 4062  
REMARK SimpleFitness: 36.8424  
  
Ignored bad PDB record found on line 4063  
REMARK FullFitness: -1754.1934  
  
Ignored bad PDB record found on line 4064  
REMARK InterFull: -64.1385  
  
Ignored bad PDB record found on line 4065  
REMARK IntraFull: 132.272  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 4131  
REMARK Energy: 36.3832  
  
Ignored bad PDB record found on line 4132  
REMARK SimpleFitness: 36.3832  
  
Ignored bad PDB record found on line 4133  
REMARK FullFitness: -1754.0679  
  
Ignored bad PDB record found on line 4134  
REMARK InterFull: -63.8369  
  
Ignored bad PDB record found on line 4135  
REMARK IntraFull: 132.306  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 4201  
REMARK Energy: 37.2682  
  
Ignored bad PDB record found on line 4202  
REMARK SimpleFitness: 37.2682  
  
Ignored bad PDB record found on line 4203  
REMARK FullFitness: -1753.9111  
  
Ignored bad PDB record found on line 4204  
REMARK InterFull: -63.5812  
  
Ignored bad PDB record found on line 4205  
REMARK IntraFull: 132.233  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 4271  
REMARK Energy: 37.9843  
  
Ignored bad PDB record found on line 4272  
REMARK SimpleFitness: 37.9843  
  
Ignored bad PDB record found on line 4273  
REMARK FullFitness: -1753.2526  
  
Ignored bad PDB record found on line 4274  
REMARK InterFull: -62.1324  
  
Ignored bad PDB record found on line 4275  
REMARK IntraFull: 131.831  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 4341  
REMARK Energy: 37.9843  
  
Ignored bad PDB record found on line 4342  
REMARK SimpleFitness: 37.9843  
  
Ignored bad PDB record found on line 4343  
REMARK FullFitness: -1753.2526  
  
Ignored bad PDB record found on line 4344  
REMARK InterFull: -62.1324  
  
Ignored bad PDB record found on line 4345  
REMARK IntraFull: 131.831  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 4411  
REMARK Energy: 37.2649  
  
Ignored bad PDB record found on line 4412  
REMARK SimpleFitness: 37.2649  
  
Ignored bad PDB record found on line 4413  
REMARK FullFitness: -1750.3706  
  
Ignored bad PDB record found on line 4414  
REMARK InterFull: -49.8145  
  
Ignored bad PDB record found on line 4415  
REMARK IntraFull: 127.47  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 4481  
REMARK Energy: 37.5993  
  
Ignored bad PDB record found on line 4482  
REMARK SimpleFitness: 37.5993  
  
Ignored bad PDB record found on line 4483  
REMARK FullFitness: -1749.6223  
  
Ignored bad PDB record found on line 4484  
REMARK InterFull: -53.8162  
  
Ignored bad PDB record found on line 4485  
REMARK IntraFull: 131.185  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 4551  
REMARK Energy: 42.4391  
  
Ignored bad PDB record found on line 4552  
REMARK SimpleFitness: 42.4391  
  
Ignored bad PDB record found on line 4553  
REMARK FullFitness: -1753.0471  
  
Ignored bad PDB record found on line 4554  
REMARK InterFull: -48.9591  
  
Ignored bad PDB record found on line 4555  
REMARK IntraFull: 127.082  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 4621  
REMARK Energy: 42.4391  
  
Ignored bad PDB record found on line 4622  
REMARK SimpleFitness: 42.4391  
  
Ignored bad PDB record found on line 4623  
REMARK FullFitness: -1753.0471  
  
Ignored bad PDB record found on line 4624  
REMARK InterFull: -48.9591  
  
Ignored bad PDB record found on line 4625  
REMARK IntraFull: 127.082  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 4691  
REMARK Energy: 42.5329  
  
Ignored bad PDB record found on line 4692  
REMARK SimpleFitness: 42.5329  
  
Ignored bad PDB record found on line 4693  
REMARK FullFitness: -1752.953  
  
Ignored bad PDB record found on line 4694  
REMARK InterFull: -48.815  
  
Ignored bad PDB record found on line 4695  
REMARK IntraFull: 126.967  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 4761  
REMARK Energy: 42.5329  
  
Ignored bad PDB record found on line 4762  
REMARK SimpleFitness: 42.5329  
  
Ignored bad PDB record found on line 4763  
REMARK FullFitness: -1752.953  
  
Ignored bad PDB record found on line 4764  
REMARK InterFull: -48.815  
  
Ignored bad PDB record found on line 4765  
REMARK IntraFull: 126.967  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 4831  
REMARK Energy: 42.5329  
  
Ignored bad PDB record found on line 4832  
REMARK SimpleFitness: 42.5329  
  
Ignored bad PDB record found on line 4833  
REMARK FullFitness: -1752.953  
  
Ignored bad PDB record found on line 4834  
REMARK InterFull: -48.815  
  
Ignored bad PDB record found on line 4835  
REMARK IntraFull: 126.967  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 4901  
REMARK Energy: 42.5329  
  
Ignored bad PDB record found on line 4902  
REMARK SimpleFitness: 42.5329  
  
Ignored bad PDB record found on line 4903  
REMARK FullFitness: -1752.953  
  
Ignored bad PDB record found on line 4904  
REMARK InterFull: -48.815  
  
Ignored bad PDB record found on line 4905  
REMARK IntraFull: 126.967  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 4971  
REMARK Energy: 42.2659  
  
Ignored bad PDB record found on line 4972  
REMARK SimpleFitness: 42.2659  
  
Ignored bad PDB record found on line 4973  
REMARK FullFitness: -1752.8269  
  
Ignored bad PDB record found on line 4974  
REMARK InterFull: -49.4069  
  
Ignored bad PDB record found on line 4975  
REMARK IntraFull: 127.7  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 5041  
REMARK Energy: 42.2659  
  
Ignored bad PDB record found on line 5042  
REMARK SimpleFitness: 42.2659  
  
Ignored bad PDB record found on line 5043  
REMARK FullFitness: -1752.8269  
  
Ignored bad PDB record found on line 5044  
REMARK InterFull: -49.4069  
  
Ignored bad PDB record found on line 5045  
REMARK IntraFull: 127.7  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 5111  
REMARK Energy: 43.1858  
  
Ignored bad PDB record found on line 5112  
REMARK SimpleFitness: 43.1858  
  
Ignored bad PDB record found on line 5113  
REMARK FullFitness: -1750.0094  
  
Ignored bad PDB record found on line 5114  
REMARK InterFull: -69.8374  
  
Ignored bad PDB record found on line 5115  
REMARK IntraFull: 133.369  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 5181  
REMARK Energy: 43.1858  
  
Ignored bad PDB record found on line 5182  
REMARK SimpleFitness: 43.1858  
  
Ignored bad PDB record found on line 5183  
REMARK FullFitness: -1750.0094  
  
Ignored bad PDB record found on line 5184  
REMARK InterFull: -69.8374  
  
Ignored bad PDB record found on line 5185  
REMARK IntraFull: 133.369  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 5251  
REMARK Energy: 43.1858  
  
Ignored bad PDB record found on line 5252  
REMARK SimpleFitness: 43.1858  
  
Ignored bad PDB record found on line 5253  
REMARK FullFitness: -1750.0094  
  
Ignored bad PDB record found on line 5254  
REMARK InterFull: -69.8374  
  
Ignored bad PDB record found on line 5255  
REMARK IntraFull: 133.369  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 5321  
REMARK Energy: 43.1861  
  
Ignored bad PDB record found on line 5322  
REMARK SimpleFitness: 43.1861  
  
Ignored bad PDB record found on line 5323  
REMARK FullFitness: -1749.9493  
  
Ignored bad PDB record found on line 5324  
REMARK InterFull: -69.8434  
  
Ignored bad PDB record found on line 5325  
REMARK IntraFull: 133.375  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 5391  
REMARK Energy: 43.1861  
  
Ignored bad PDB record found on line 5392  
REMARK SimpleFitness: 43.1861  
  
Ignored bad PDB record found on line 5393  
REMARK FullFitness: -1749.9493  
  
Ignored bad PDB record found on line 5394  
REMARK InterFull: -69.8434  
  
Ignored bad PDB record found on line 5395  
REMARK IntraFull: 133.375  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 5461  
REMARK Energy: 43.1861  
  
Ignored bad PDB record found on line 5462  
REMARK SimpleFitness: 43.1861  
  
Ignored bad PDB record found on line 5463  
REMARK FullFitness: -1749.9493  
  
Ignored bad PDB record found on line 5464  
REMARK InterFull: -69.8434  
  
Ignored bad PDB record found on line 5465  
REMARK IntraFull: 133.375  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 5531  
REMARK Energy: 43.1881  
  
Ignored bad PDB record found on line 5532  
REMARK SimpleFitness: 43.1881  
  
Ignored bad PDB record found on line 5533  
REMARK FullFitness: -1749.8845  
  
Ignored bad PDB record found on line 5534  
REMARK InterFull: -69.8296  
  
Ignored bad PDB record found on line 5535  
REMARK IntraFull: 133.366  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 5601  
REMARK Energy: 43.1881  
  
Ignored bad PDB record found on line 5602  
REMARK SimpleFitness: 43.1881  
  
Ignored bad PDB record found on line 5603  
REMARK FullFitness: -1749.8845  
  
Ignored bad PDB record found on line 5604  
REMARK InterFull: -69.8296  
  
Ignored bad PDB record found on line 5605  
REMARK IntraFull: 133.366  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 5671  
REMARK Energy: 43.1553  
  
Ignored bad PDB record found on line 5672  
REMARK SimpleFitness: 43.1553  
  
Ignored bad PDB record found on line 5673  
REMARK FullFitness: -1748.8475  
  
Ignored bad PDB record found on line 5674  
REMARK InterFull: -58.6757  
  
Ignored bad PDB record found on line 5675  
REMARK IntraFull: 131.016  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 5741  
REMARK Energy: 43.1834  
  
Ignored bad PDB record found on line 5742  
REMARK SimpleFitness: 43.1834  
  
Ignored bad PDB record found on line 5743  
REMARK FullFitness: -1748.5383  
  
Ignored bad PDB record found on line 5744  
REMARK InterFull: -58.0983  
  
Ignored bad PDB record found on line 5745  
REMARK IntraFull: 131.083  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 5811  
REMARK Energy: 51.8114  
  
Ignored bad PDB record found on line 5812  
REMARK SimpleFitness: 51.8114  
  
Ignored bad PDB record found on line 5813  
REMARK FullFitness: -1741.5215  
  
Ignored bad PDB record found on line 5814  
REMARK InterFull: -55.0636  
  
Ignored bad PDB record found on line 5815  
REMARK IntraFull: 135.097  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 5881  
REMARK Energy: 43.7231  
  
Ignored bad PDB record found on line 5882  
REMARK SimpleFitness: 43.7231  
  
Ignored bad PDB record found on line 5883  
REMARK FullFitness: -1740.0817  
  
Ignored bad PDB record found on line 5884  
REMARK InterFull: -51.6947  
  
Ignored bad PDB record found on line 5885  
REMARK IntraFull: 129.604  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 5951  
REMARK Energy: 48.5428  
  
Ignored bad PDB record found on line 5952  
REMARK SimpleFitness: 48.5428  
  
Ignored bad PDB record found on line 5953  
REMARK FullFitness: -1736.5889  
  
Ignored bad PDB record found on line 5954  
REMARK InterFull: -47.7639  
  
Ignored bad PDB record found on line 5955  
REMARK IntraFull: 129.75  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 6021  
REMARK Energy: 51.508  
  
Ignored bad PDB record found on line 6022  
REMARK SimpleFitness: 51.508  
  
Ignored bad PDB record found on line 6023  
REMARK FullFitness: -1734.1892  
  
Ignored bad PDB record found on line 6024  
REMARK InterFull: -43.5364  
  
Ignored bad PDB record found on line 6025  
REMARK IntraFull: 130.708  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 6091  
REMARK Energy: 51.5129  
  
Ignored bad PDB record found on line 6092  
REMARK SimpleFitness: 51.5129  
  
Ignored bad PDB record found on line 6093  
REMARK FullFitness: -1733.428  
  
Ignored bad PDB record found on line 6094  
REMARK InterFull: -43.8041  
  
Ignored bad PDB record found on line 6095  
REMARK IntraFull: 131.145  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 6161  
REMARK Energy: 56.9332  
  
Ignored bad PDB record found on line 6162  
REMARK SimpleFitness: 56.9332  
  
Ignored bad PDB record found on line 6163  
REMARK FullFitness: -1727.1803  
  
Ignored bad PDB record found on line 6164  
REMARK InterFull: -33.3464  
  
Ignored bad PDB record found on line 6165  
REMARK IntraFull: 134.456  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 6231  
REMARK Energy: 44.9945  
  
Ignored bad PDB record found on line 6232  
REMARK SimpleFitness: 44.9945  
  
Ignored bad PDB record found on line 6233  
REMARK FullFitness: -1748.8362  
  
Ignored bad PDB record found on line 6234  
REMARK InterFull: -46.1222  
  
Ignored bad PDB record found on line 6235  
REMARK IntraFull: 127.816  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 6301  
REMARK Energy: 44.5948  
  
Ignored bad PDB record found on line 6302  
REMARK SimpleFitness: 44.5948  
  
Ignored bad PDB record found on line 6303  
REMARK FullFitness: -1747.763  
  
Ignored bad PDB record found on line 6304  
REMARK InterFull: -47.176  
  
Ignored bad PDB record found on line 6305  
REMARK IntraFull: 129.216  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 6371  
REMARK Energy: 46.5116  
  
Ignored bad PDB record found on line 6372  
REMARK SimpleFitness: 46.5116  
  
Ignored bad PDB record found on line 6373  
REMARK FullFitness: -1746.4307  
  
Ignored bad PDB record found on line 6374  
REMARK InterFull: -44.3005  
  
Ignored bad PDB record found on line 6375  
REMARK IntraFull: 128.144  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 6441  
REMARK Energy: 47.0386  
  
Ignored bad PDB record found on line 6442  
REMARK SimpleFitness: 47.0386  
  
Ignored bad PDB record found on line 6443  
REMARK FullFitness: -1744.9526  
  
Ignored bad PDB record found on line 6444  
REMARK InterFull: -45.8087  
  
Ignored bad PDB record found on line 6445  
REMARK IntraFull: 129.492  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 6511  
REMARK Energy: 42.8495  
  
Ignored bad PDB record found on line 6512  
REMARK SimpleFitness: 42.8495  
  
Ignored bad PDB record found on line 6513  
REMARK FullFitness: -1748.1123  
  
Ignored bad PDB record found on line 6514  
REMARK InterFull: -54.2603  
  
Ignored bad PDB record found on line 6515  
REMARK IntraFull: 131.408  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 6581  
REMARK Energy: 38.7923  
  
Ignored bad PDB record found on line 6582  
REMARK SimpleFitness: 38.7923  
  
Ignored bad PDB record found on line 6583  
REMARK FullFitness: -1747.7115  
  
Ignored bad PDB record found on line 6584  
REMARK InterFull: -61.7334  
  
Ignored bad PDB record found on line 6585  
REMARK IntraFull: 130.857  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 6651  
REMARK Energy: 39.1653  
  
Ignored bad PDB record found on line 6652  
REMARK SimpleFitness: 39.1653  
  
Ignored bad PDB record found on line 6653  
REMARK FullFitness: -1747.4252  
  
Ignored bad PDB record found on line 6654  
REMARK InterFull: -61.1372  
  
Ignored bad PDB record found on line 6655  
REMARK IntraFull: 130.302  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 6721  
REMARK Energy: 41.5536  
  
Ignored bad PDB record found on line 6722  
REMARK SimpleFitness: 41.5536  
  
Ignored bad PDB record found on line 6723  
REMARK FullFitness: -1746.5939  
  
Ignored bad PDB record found on line 6724  
REMARK InterFull: -56.0208  
  
Ignored bad PDB record found on line 6725  
REMARK IntraFull: 130.532  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 6791  
REMARK Energy: 42.8755  
  
Ignored bad PDB record found on line 6792  
REMARK SimpleFitness: 42.8755  
  
Ignored bad PDB record found on line 6793  
REMARK FullFitness: -1746.5433  
  
Ignored bad PDB record found on line 6794  
REMARK InterFull: -51.1843  
  
Ignored bad PDB record found on line 6795  
REMARK IntraFull: 131.369  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 6861  
REMARK Energy: 43.3024  
  
Ignored bad PDB record found on line 6862  
REMARK SimpleFitness: 43.3024  
  
Ignored bad PDB record found on line 6863  
REMARK FullFitness: -1746.4937  
  
Ignored bad PDB record found on line 6864  
REMARK InterFull: -50.9966  
  
Ignored bad PDB record found on line 6865  
REMARK IntraFull: 131.377  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 6931  
REMARK Energy: 42.9289  
  
Ignored bad PDB record found on line 6932  
REMARK SimpleFitness: 42.9289  
  
Ignored bad PDB record found on line 6933  
REMARK FullFitness: -1746.2695  
  
Ignored bad PDB record found on line 6934  
REMARK InterFull: -46.1377  
  
Ignored bad PDB record found on line 6935  
REMARK IntraFull: 127.905  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 7001  
REMARK Energy: 42.5718  
  
Ignored bad PDB record found on line 7002  
REMARK SimpleFitness: 42.5718  
  
Ignored bad PDB record found on line 7003  
REMARK FullFitness: -1746.2401  
  
Ignored bad PDB record found on line 7004  
REMARK InterFull: -51.7921  
  
Ignored bad PDB record found on line 7005  
REMARK IntraFull: 131.3  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 7071  
REMARK Energy: 44.8457  
  
Ignored bad PDB record found on line 7072  
REMARK SimpleFitness: 44.8457  
  
Ignored bad PDB record found on line 7073  
REMARK FullFitness: -1745.2074  
  
Ignored bad PDB record found on line 7074  
REMARK InterFull: -49.1334  
  
Ignored bad PDB record found on line 7075  
REMARK IntraFull: 132.103  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 7141  
REMARK Energy: 40.7677  
  
Ignored bad PDB record found on line 7142  
REMARK SimpleFitness: 40.7677  
  
Ignored bad PDB record found on line 7143  
REMARK FullFitness: -1744.6411  
  
Ignored bad PDB record found on line 7144  
REMARK InterFull: -57.2621  
  
Ignored bad PDB record found on line 7145  
REMARK IntraFull: 133.891  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 7211  
REMARK Energy: 41.5347  
  
Ignored bad PDB record found on line 7212  
REMARK SimpleFitness: 41.5347  
  
Ignored bad PDB record found on line 7213  
REMARK FullFitness: -1743.2913  
  
Ignored bad PDB record found on line 7214  
REMARK InterFull: -56.3102  
  
Ignored bad PDB record found on line 7215  
REMARK IntraFull: 132.003  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 7281  
REMARK Energy: 50.8588  
  
Ignored bad PDB record found on line 7282  
REMARK SimpleFitness: 50.8588  
  
Ignored bad PDB record found on line 7283  
REMARK FullFitness: -1739.0409  
  
Ignored bad PDB record found on line 7284  
REMARK InterFull: -49.0849  
  
Ignored bad PDB record found on line 7285  
REMARK IntraFull: 134.19  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 7351  
REMARK Energy: 50.8808  
  
Ignored bad PDB record found on line 7352  
REMARK SimpleFitness: 50.8808  
  
Ignored bad PDB record found on line 7353  
REMARK FullFitness: -1738.8579  
  
Ignored bad PDB record found on line 7354  
REMARK InterFull: -49.151  
  
Ignored bad PDB record found on line 7355  
REMARK IntraFull: 134.327  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 7421  
REMARK Energy: 50.8438  
  
Ignored bad PDB record found on line 7422  
REMARK SimpleFitness: 50.8438  
  
Ignored bad PDB record found on line 7423  
REMARK FullFitness: -1737.8767  
  
Ignored bad PDB record found on line 7424  
REMARK InterFull: -48.7517  
  
Ignored bad PDB record found on line 7425  
REMARK IntraFull: 133.046  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 7491  
REMARK Energy: 49.4047  
  
Ignored bad PDB record found on line 7492  
REMARK SimpleFitness: 49.4047  
  
Ignored bad PDB record found on line 7493  
REMARK FullFitness: -1735.4429  
  
Ignored bad PDB record found on line 7494  
REMARK InterFull: -36.663  
  
Ignored bad PDB record found on line 7495  
REMARK IntraFull: 132.515  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 7561  
REMARK Energy: 48.5668  
  
Ignored bad PDB record found on line 7562  
REMARK SimpleFitness: 48.5668  
  
Ignored bad PDB record found on line 7563  
REMARK FullFitness: -1734.0382  
  
Ignored bad PDB record found on line 7564  
REMARK InterFull: -33.2022  
  
Ignored bad PDB record found on line 7565  
REMARK IntraFull: 132.047  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 7631  
REMARK Energy: 44.2525  
  
Ignored bad PDB record found on line 7632  
REMARK SimpleFitness: 44.2525  
  
Ignored bad PDB record found on line 7633  
REMARK FullFitness: -1748.0498  
  
Ignored bad PDB record found on line 7634  
REMARK InterFull: -52.0118  
  
Ignored bad PDB record found on line 7635  
REMARK IntraFull: 124.698  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 7701  
REMARK Energy: 47.0682  
  
Ignored bad PDB record found on line 7702  
REMARK SimpleFitness: 47.0682  
  
Ignored bad PDB record found on line 7703  
REMARK FullFitness: -1745.7911  
  
Ignored bad PDB record found on line 7704  
REMARK InterFull: -48.8141  
  
Ignored bad PDB record found on line 7705  
REMARK IntraFull: 125.932  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 7771  
REMARK Energy: 47.2862  
  
Ignored bad PDB record found on line 7772  
REMARK SimpleFitness: 47.2862  
  
Ignored bad PDB record found on line 7773  
REMARK FullFitness: -1745.7562  
  
Ignored bad PDB record found on line 7774  
REMARK InterFull: -48.7091  
  
Ignored bad PDB record found on line 7775  
REMARK IntraFull: 125.98  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 7841  
REMARK Energy: 47.6704  
  
Ignored bad PDB record found on line 7842  
REMARK SimpleFitness: 47.6704  
  
Ignored bad PDB record found on line 7843  
REMARK FullFitness: -1745.037  
  
Ignored bad PDB record found on line 7844  
REMARK InterFull: -50.2718  
  
Ignored bad PDB record found on line 7845  
REMARK IntraFull: 130.318  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 7911  
REMARK Energy: 49.1005  
  
Ignored bad PDB record found on line 7912  
REMARK SimpleFitness: 49.1005  
  
Ignored bad PDB record found on line 7913  
REMARK FullFitness: -1743.1213  
  
Ignored bad PDB record found on line 7914  
REMARK InterFull: -49.6295  
  
Ignored bad PDB record found on line 7915  
REMARK IntraFull: 129.651  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 7981  
REMARK Energy: 47.8788  
  
Ignored bad PDB record found on line 7982  
REMARK SimpleFitness: 47.8788  
  
Ignored bad PDB record found on line 7983  
REMARK FullFitness: -1742.6455  
  
Ignored bad PDB record found on line 7984  
REMARK InterFull: -45.9035  
  
Ignored bad PDB record found on line 7985  
REMARK IntraFull: 132.894  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 8051  
REMARK Energy: 45.1945  
  
Ignored bad PDB record found on line 8052  
REMARK SimpleFitness: 45.1945  
  
Ignored bad PDB record found on line 8053  
REMARK FullFitness: -1747.9443  
  
Ignored bad PDB record found on line 8054  
REMARK InterFull: -57.3403  
  
Ignored bad PDB record found on line 8055  
REMARK IntraFull: 137.86  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 8121  
REMARK Energy: 45.1945  
  
Ignored bad PDB record found on line 8122  
REMARK SimpleFitness: 45.1945  
  
Ignored bad PDB record found on line 8123  
REMARK FullFitness: -1747.9443  
  
Ignored bad PDB record found on line 8124  
REMARK InterFull: -57.3403  
  
Ignored bad PDB record found on line 8125  
REMARK IntraFull: 137.86  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 8191  
REMARK Energy: 47.9331  
  
Ignored bad PDB record found on line 8192  
REMARK SimpleFitness: 47.9331  
  
Ignored bad PDB record found on line 8193  
REMARK FullFitness: -1746.8713  
  
Ignored bad PDB record found on line 8194  
REMARK InterFull: -62.1484  
  
Ignored bad PDB record found on line 8195  
REMARK IntraFull: 140.139  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 8261  
REMARK Energy: 45.0885  
  
Ignored bad PDB record found on line 8262  
REMARK SimpleFitness: 45.0885  
  
Ignored bad PDB record found on line 8263  
REMARK FullFitness: -1746.0405  
  
Ignored bad PDB record found on line 8264  
REMARK InterFull: -55.7365  
  
Ignored bad PDB record found on line 8265  
REMARK IntraFull: 137.614  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 8331  
REMARK Energy: 45.0885  
  
Ignored bad PDB record found on line 8332  
REMARK SimpleFitness: 45.0885  
  
Ignored bad PDB record found on line 8333  
REMARK FullFitness: -1746.0405  
  
Ignored bad PDB record found on line 8334  
REMARK InterFull: -55.7365  
  
Ignored bad PDB record found on line 8335  
REMARK IntraFull: 137.614  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 8401  
REMARK Energy: 40.3612  
  
Ignored bad PDB record found on line 8402  
REMARK SimpleFitness: 40.3612  
  
Ignored bad PDB record found on line 8403  
REMARK FullFitness: -1747.6191  
  
Ignored bad PDB record found on line 8404  
REMARK InterFull: -59.9662  
  
Ignored bad PDB record found on line 8405  
REMARK IntraFull: 130.289  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 8471  
REMARK Energy: 40.3892  
  
Ignored bad PDB record found on line 8472  
REMARK SimpleFitness: 40.3892  
  
Ignored bad PDB record found on line 8473  
REMARK FullFitness: -1747.6005  
  
Ignored bad PDB record found on line 8474  
REMARK InterFull: -59.8455  
  
Ignored bad PDB record found on line 8475  
REMARK IntraFull: 130.237  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 8541  
REMARK Energy: 40.3501  
  
Ignored bad PDB record found on line 8542  
REMARK SimpleFitness: 40.3501  
  
Ignored bad PDB record found on line 8543  
REMARK FullFitness: -1747.5194  
  
Ignored bad PDB record found on line 8544  
REMARK InterFull: -60.2554  
  
Ignored bad PDB record found on line 8545  
REMARK IntraFull: 130.456  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 8611  
REMARK Energy: 45.7584  
  
Ignored bad PDB record found on line 8612  
REMARK SimpleFitness: 45.7584  
  
Ignored bad PDB record found on line 8613  
REMARK FullFitness: -1743.6742  
  
Ignored bad PDB record found on line 8614  
REMARK InterFull: -46.9064  
  
Ignored bad PDB record found on line 8615  
REMARK IntraFull: 128.514  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 8681  
REMARK Energy: 44.627  
  
Ignored bad PDB record found on line 8682  
REMARK SimpleFitness: 44.627  
  
Ignored bad PDB record found on line 8683  
REMARK FullFitness: -1743.5323  
  
Ignored bad PDB record found on line 8684  
REMARK InterFull: -51.9754  
  
Ignored bad PDB record found on line 8685  
REMARK IntraFull: 129.42  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 8751  
REMARK Energy: 45.6238  
  
Ignored bad PDB record found on line 8752  
REMARK SimpleFitness: 45.6238  
  
Ignored bad PDB record found on line 8753  
REMARK FullFitness: -1742.0647  
  
Ignored bad PDB record found on line 8754  
REMARK InterFull: -46.1277  
  
Ignored bad PDB record found on line 8755  
REMARK IntraFull: 128.979  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 8821  
REMARK Energy: 43.7772  
  
Ignored bad PDB record found on line 8822  
REMARK SimpleFitness: 43.7772  
  
Ignored bad PDB record found on line 8823  
REMARK FullFitness: -1741.4697  
  
Ignored bad PDB record found on line 8824  
REMARK InterFull: -56.8796  
  
Ignored bad PDB record found on line 8825  
REMARK IntraFull: 131.257  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 8891  
REMARK Energy: 46.3215  
  
Ignored bad PDB record found on line 8892  
REMARK SimpleFitness: 46.3215  
  
Ignored bad PDB record found on line 8893  
REMARK FullFitness: -1737.9167  
  
Ignored bad PDB record found on line 8894  
REMARK InterFull: -48.4587  
  
Ignored bad PDB record found on line 8895  
REMARK IntraFull: 133.613  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 8961  
REMARK Energy: 49.7029  
  
Ignored bad PDB record found on line 8962  
REMARK SimpleFitness: 49.7029  
  
Ignored bad PDB record found on line 8963  
REMARK FullFitness: -1737.242  
  
Ignored bad PDB record found on line 8964  
REMARK InterFull: -53.927  
  
Ignored bad PDB record found on line 8965  
REMARK IntraFull: 135.329  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 9031  
REMARK Energy: 50.1214  
  
Ignored bad PDB record found on line 9032  
REMARK SimpleFitness: 50.1214  
  
Ignored bad PDB record found on line 9033  
REMARK FullFitness: -1736.8955  
  
Ignored bad PDB record found on line 9034  
REMARK InterFull: -50.9625  
  
Ignored bad PDB record found on line 9035  
REMARK IntraFull: 133.209  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 9101  
REMARK Energy: 41.2949  
  
Ignored bad PDB record found on line 9102  
REMARK SimpleFitness: 41.2949  
  
Ignored bad PDB record found on line 9103  
REMARK FullFitness: -1747.5652  
  
Ignored bad PDB record found on line 9104  
REMARK InterFull: -60.6753  
  
Ignored bad PDB record found on line 9105  
REMARK IntraFull: 132.27  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 9171  
REMARK Energy: 41.2949  
  
Ignored bad PDB record found on line 9172  
REMARK SimpleFitness: 41.2949  
  
Ignored bad PDB record found on line 9173  
REMARK FullFitness: -1747.5652  
  
Ignored bad PDB record found on line 9174  
REMARK InterFull: -60.6753  
  
Ignored bad PDB record found on line 9175  
REMARK IntraFull: 132.27  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 9241  
REMARK Energy: 41.2949  
  
Ignored bad PDB record found on line 9242  
REMARK SimpleFitness: 41.2949  
  
Ignored bad PDB record found on line 9243  
REMARK FullFitness: -1747.5652  
  
Ignored bad PDB record found on line 9244  
REMARK InterFull: -60.6753  
  
Ignored bad PDB record found on line 9245  
REMARK IntraFull: 132.27  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 9311  
REMARK Energy: 41.2945  
  
Ignored bad PDB record found on line 9312  
REMARK SimpleFitness: 41.2945  
  
Ignored bad PDB record found on line 9313  
REMARK FullFitness: -1747.5563  
  
Ignored bad PDB record found on line 9314  
REMARK InterFull: -60.6844  
  
Ignored bad PDB record found on line 9315  
REMARK IntraFull: 132.279  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 9381  
REMARK Energy: 41.2945  
  
Ignored bad PDB record found on line 9382  
REMARK SimpleFitness: 41.2945  
  
Ignored bad PDB record found on line 9383  
REMARK FullFitness: -1747.5563  
  
Ignored bad PDB record found on line 9384  
REMARK InterFull: -60.6844  
  
Ignored bad PDB record found on line 9385  
REMARK IntraFull: 132.279  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 9451  
REMARK Energy: 41.298  
  
Ignored bad PDB record found on line 9452  
REMARK SimpleFitness: 41.298  
  
Ignored bad PDB record found on line 9453  
REMARK FullFitness: -1747.5212  
  
Ignored bad PDB record found on line 9454  
REMARK InterFull: -60.6791  
  
Ignored bad PDB record found on line 9455  
REMARK IntraFull: 132.297  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 9521  
REMARK Energy: 41.298  
  
Ignored bad PDB record found on line 9522  
REMARK SimpleFitness: 41.298  
  
Ignored bad PDB record found on line 9523  
REMARK FullFitness: -1747.5212  
  
Ignored bad PDB record found on line 9524  
REMARK InterFull: -60.6791  
  
Ignored bad PDB record found on line 9525  
REMARK IntraFull: 132.297  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 9591  
REMARK Energy: 41.298  
  
Ignored bad PDB record found on line 9592  
REMARK SimpleFitness: 41.298  
  
Ignored bad PDB record found on line 9593  
REMARK FullFitness: -1747.5212  
  
Ignored bad PDB record found on line 9594  
REMARK InterFull: -60.6791  
  
Ignored bad PDB record found on line 9595  
REMARK IntraFull: 132.297  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 9661  
REMARK Energy: 48.2577  
  
Ignored bad PDB record found on line 9662  
REMARK SimpleFitness: 48.2577  
  
Ignored bad PDB record found on line 9663  
REMARK FullFitness: -1746.926  
  
Ignored bad PDB record found on line 9664  
REMARK InterFull: -49.1582  
  
Ignored bad PDB record found on line 9665  
REMARK IntraFull: 128.384  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 9731  
REMARK Energy: 48.0389  
  
Ignored bad PDB record found on line 9732  
REMARK SimpleFitness: 48.0389  
  
Ignored bad PDB record found on line 9733  
REMARK FullFitness: -1746.873  
  
Ignored bad PDB record found on line 9734  
REMARK InterFull: -49.408  
  
Ignored bad PDB record found on line 9735  
REMARK IntraFull: 128.32  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 9801  
REMARK Energy: 48.0389  
  
Ignored bad PDB record found on line 9802  
REMARK SimpleFitness: 48.0389  
  
Ignored bad PDB record found on line 9803  
REMARK FullFitness: -1746.873  
  
Ignored bad PDB record found on line 9804  
REMARK InterFull: -49.408  
  
Ignored bad PDB record found on line 9805  
REMARK IntraFull: 128.32  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 9871  
REMARK Energy: 48.1795  
  
Ignored bad PDB record found on line 9872  
REMARK SimpleFitness: 48.1795  
  
Ignored bad PDB record found on line 9873  
REMARK FullFitness: -1746.6943  
  
Ignored bad PDB record found on line 9874  
REMARK InterFull: -49.0653  
  
Ignored bad PDB record found on line 9875  
REMARK IntraFull: 128.226  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 9941  
REMARK Energy: 50.4301  
  
Ignored bad PDB record found on line 9942  
REMARK SimpleFitness: 50.4301  
  
Ignored bad PDB record found on line 9943  
REMARK FullFitness: -1745.4124  
  
Ignored bad PDB record found on line 9944  
REMARK InterFull: -41.8575  
  
Ignored bad PDB record found on line 9945  
REMARK IntraFull: 128.503  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 10011  
REMARK Energy: 50.4573  
  
Ignored bad PDB record found on line 10012  
REMARK SimpleFitness: 50.4573  
  
Ignored bad PDB record found on line 10013  
REMARK FullFitness: -1745.2902  
  
Ignored bad PDB record found on line 10014  
REMARK InterFull: -41.9071  
  
Ignored bad PDB record found on line 10015  
REMARK IntraFull: 128.635  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 10081  
REMARK Energy: 50.4573  
  
Ignored bad PDB record found on line 10082  
REMARK SimpleFitness: 50.4573  
  
Ignored bad PDB record found on line 10083  
REMARK FullFitness: -1745.2902  
  
Ignored bad PDB record found on line 10084  
REMARK InterFull: -41.9071  
  
Ignored bad PDB record found on line 10085  
REMARK IntraFull: 128.635  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 10151  
REMARK Energy: 50.4723  
  
Ignored bad PDB record found on line 10152  
REMARK SimpleFitness: 50.4723  
  
Ignored bad PDB record found on line 10153  
REMARK FullFitness: -1745.2821  
  
Ignored bad PDB record found on line 10154  
REMARK InterFull: -41.8661  
  
Ignored bad PDB record found on line 10155  
REMARK IntraFull: 128.665  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 10221  
REMARK Energy: 54.1622  
  
Ignored bad PDB record found on line 10222  
REMARK SimpleFitness: 54.1622  
  
Ignored bad PDB record found on line 10223  
REMARK FullFitness: -1746.594  
  
Ignored bad PDB record found on line 10224  
REMARK InterFull: -37.204  
  
Ignored bad PDB record found on line 10225  
REMARK IntraFull: 128.076  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 10291  
REMARK Energy: 55.7576  
  
Ignored bad PDB record found on line 10292  
REMARK SimpleFitness: 55.7576  
  
Ignored bad PDB record found on line 10293  
REMARK FullFitness: -1744.7457  
  
Ignored bad PDB record found on line 10294  
REMARK InterFull: -34.3518  
  
Ignored bad PDB record found on line 10295  
REMARK IntraFull: 128.923  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 10361  
REMARK Energy: 55.7143  
  
Ignored bad PDB record found on line 10362  
REMARK SimpleFitness: 55.7143  
  
Ignored bad PDB record found on line 10363  
REMARK FullFitness: -1744.645  
  
Ignored bad PDB record found on line 10364  
REMARK InterFull: -34.0791  
  
Ignored bad PDB record found on line 10365  
REMARK IntraFull: 129.547  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 10431  
REMARK Energy: 55.7143  
  
Ignored bad PDB record found on line 10432  
REMARK SimpleFitness: 55.7143  
  
Ignored bad PDB record found on line 10433  
REMARK FullFitness: -1744.645  
  
Ignored bad PDB record found on line 10434  
REMARK InterFull: -34.0791  
  
Ignored bad PDB record found on line 10435  
REMARK IntraFull: 129.547  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 10501  
REMARK Energy: 55.7143  
  
Ignored bad PDB record found on line 10502  
REMARK SimpleFitness: 55.7143  
  
Ignored bad PDB record found on line 10503  
REMARK FullFitness: -1744.645  
  
Ignored bad PDB record found on line 10504  
REMARK InterFull: -34.0791  
  
Ignored bad PDB record found on line 10505  
REMARK IntraFull: 129.547  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 10571  
REMARK Energy: 56.364  
  
Ignored bad PDB record found on line 10572  
REMARK SimpleFitness: 56.364  
  
Ignored bad PDB record found on line 10573  
REMARK FullFitness: -1740.9297  
  
Ignored bad PDB record found on line 10574  
REMARK InterFull: -37.1508  
  
Ignored bad PDB record found on line 10575  
REMARK IntraFull: 132.092  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 10641  
REMARK Energy: 56.302  
  
Ignored bad PDB record found on line 10642  
REMARK SimpleFitness: 56.302  
  
Ignored bad PDB record found on line 10643  
REMARK FullFitness: -1740.9263  
  
Ignored bad PDB record found on line 10644  
REMARK InterFull: -37.2582  
  
Ignored bad PDB record found on line 10645  
REMARK IntraFull: 131.853  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 10711  
REMARK Energy: 57.2178  
  
Ignored bad PDB record found on line 10712  
REMARK SimpleFitness: 57.2178  
  
Ignored bad PDB record found on line 10713  
REMARK FullFitness: -1739.4799  
  
Ignored bad PDB record found on line 10714  
REMARK InterFull: -33.043  
  
Ignored bad PDB record found on line 10715  
REMARK IntraFull: 130.568  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 10781  
REMARK Energy: 50.8549  
  
Ignored bad PDB record found on line 10782  
REMARK SimpleFitness: 50.8549  
  
Ignored bad PDB record found on line 10783  
REMARK FullFitness: -1746.0002  
  
Ignored bad PDB record found on line 10784  
REMARK InterFull: -38.6163  
  
Ignored bad PDB record found on line 10785  
REMARK IntraFull: 126.793  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 10851  
REMARK Energy: 54.031  
  
Ignored bad PDB record found on line 10852  
REMARK SimpleFitness: 54.031  
  
Ignored bad PDB record found on line 10853  
REMARK FullFitness: -1744.2137  
  
Ignored bad PDB record found on line 10854  
REMARK InterFull: -36.0778  
  
Ignored bad PDB record found on line 10855  
REMARK IntraFull: 125.656  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 10921  
REMARK Energy: 51.9687  
  
Ignored bad PDB record found on line 10922  
REMARK SimpleFitness: 51.9687  
  
Ignored bad PDB record found on line 10923  
REMARK FullFitness: -1744.0386  
  
Ignored bad PDB record found on line 10924  
REMARK InterFull: -38.9876  
  
Ignored bad PDB record found on line 10925  
REMARK IntraFull: 129.896  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 10991  
REMARK Energy: 50.6476  
  
Ignored bad PDB record found on line 10992  
REMARK SimpleFitness: 50.6476  
  
Ignored bad PDB record found on line 10993  
REMARK FullFitness: -1743.6819  
  
Ignored bad PDB record found on line 10994  
REMARK InterFull: -38.1309  
  
Ignored bad PDB record found on line 10995  
REMARK IntraFull: 126.982  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 11061  
REMARK Energy: 50.6476  
  
Ignored bad PDB record found on line 11062  
REMARK SimpleFitness: 50.6476  
  
Ignored bad PDB record found on line 11063  
REMARK FullFitness: -1743.6819  
  
Ignored bad PDB record found on line 11064  
REMARK InterFull: -38.1309  
  
Ignored bad PDB record found on line 11065  
REMARK IntraFull: 126.982  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 11131  
REMARK Energy: 50.6585  
  
Ignored bad PDB record found on line 11132  
REMARK SimpleFitness: 50.6585  
  
Ignored bad PDB record found on line 11133  
REMARK FullFitness: -1743.6411  
  
Ignored bad PDB record found on line 11134  
REMARK InterFull: -38.0843  
  
Ignored bad PDB record found on line 11135  
REMARK IntraFull: 127.001  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 11201  
REMARK Energy: 50.6585  
  
Ignored bad PDB record found on line 11202  
REMARK SimpleFitness: 50.6585  
  
Ignored bad PDB record found on line 11203  
REMARK FullFitness: -1743.6411  
  
Ignored bad PDB record found on line 11204  
REMARK InterFull: -38.0843  
  
Ignored bad PDB record found on line 11205  
REMARK IntraFull: 127.001  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 11271  
REMARK Energy: 50.6776  
  
Ignored bad PDB record found on line 11272  
REMARK SimpleFitness: 50.6776  
  
Ignored bad PDB record found on line 11273  
REMARK FullFitness: -1743.6411  
  
Ignored bad PDB record found on line 11274  
REMARK InterFull: -38.0392  
  
Ignored bad PDB record found on line 11275  
REMARK IntraFull: 126.95  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 11341  
REMARK Energy: 42.4964  
  
Ignored bad PDB record found on line 11342  
REMARK SimpleFitness: 42.4964  
  
Ignored bad PDB record found on line 11343  
REMARK FullFitness: -1745.6377  
  
Ignored bad PDB record found on line 11344  
REMARK InterFull: -45.5326  
  
Ignored bad PDB record found on line 11345  
REMARK IntraFull: 126.714  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 11411  
REMARK Energy: 44.0869  
  
Ignored bad PDB record found on line 11412  
REMARK SimpleFitness: 44.0869  
  
Ignored bad PDB record found on line 11413  
REMARK FullFitness: -1743.5205  
  
Ignored bad PDB record found on line 11414  
REMARK InterFull: -47.3455  
  
Ignored bad PDB record found on line 11415  
REMARK IntraFull: 130.241  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 11481  
REMARK Energy: 43.8946  
  
Ignored bad PDB record found on line 11482  
REMARK SimpleFitness: 43.8946  
  
Ignored bad PDB record found on line 11483  
REMARK FullFitness: -1743.1072  
  
Ignored bad PDB record found on line 11484  
REMARK InterFull: -47.1341  
  
Ignored bad PDB record found on line 11485  
REMARK IntraFull: 130.177  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 11551  
REMARK Energy: 43.8946  
  
Ignored bad PDB record found on line 11552  
REMARK SimpleFitness: 43.8946  
  
Ignored bad PDB record found on line 11553  
REMARK FullFitness: -1743.1072  
  
Ignored bad PDB record found on line 11554  
REMARK InterFull: -47.1341  
  
Ignored bad PDB record found on line 11555  
REMARK IntraFull: 130.177  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 11621  
REMARK Energy: 43.8946  
  
Ignored bad PDB record found on line 11622  
REMARK SimpleFitness: 43.8946  
  
Ignored bad PDB record found on line 11623  
REMARK FullFitness: -1743.1072  
  
Ignored bad PDB record found on line 11624  
REMARK InterFull: -47.1341  
  
Ignored bad PDB record found on line 11625  
REMARK IntraFull: 130.177  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 11691  
REMARK Energy: 45.5487  
  
Ignored bad PDB record found on line 11692  
REMARK SimpleFitness: 45.5487  
  
Ignored bad PDB record found on line 11693  
REMARK FullFitness: -1744.9519  
  
Ignored bad PDB record found on line 11694  
REMARK InterFull: -58.1698  
  
Ignored bad PDB record found on line 11695  
REMARK IntraFull: 130.551  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 11761  
REMARK Energy: 52.8177  
  
Ignored bad PDB record found on line 11762  
REMARK SimpleFitness: 52.8177  
  
Ignored bad PDB record found on line 11763  
REMARK FullFitness: -1736.2517  
  
Ignored bad PDB record found on line 11764  
REMARK InterFull: -42.2466  
  
Ignored bad PDB record found on line 11765  
REMARK IntraFull: 127.649  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 11831  
REMARK Energy: 48.4556  
  
Ignored bad PDB record found on line 11832  
REMARK SimpleFitness: 48.4556  
  
Ignored bad PDB record found on line 11833  
REMARK FullFitness: -1744.8992  
  
Ignored bad PDB record found on line 11834  
REMARK InterFull: -49.0031  
  
Ignored bad PDB record found on line 11835  
REMARK IntraFull: 127.215  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 11901  
REMARK Energy: 48.4556  
  
Ignored bad PDB record found on line 11902  
REMARK SimpleFitness: 48.4556  
  
Ignored bad PDB record found on line 11903  
REMARK FullFitness: -1744.8992  
  
Ignored bad PDB record found on line 11904  
REMARK InterFull: -49.0031  
  
Ignored bad PDB record found on line 11905  
REMARK IntraFull: 127.215  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 11971  
REMARK Energy: 48.4556  
  
Ignored bad PDB record found on line 11972  
REMARK SimpleFitness: 48.4556  
  
Ignored bad PDB record found on line 11973  
REMARK FullFitness: -1744.8992  
  
Ignored bad PDB record found on line 11974  
REMARK InterFull: -49.0031  
  
Ignored bad PDB record found on line 11975  
REMARK IntraFull: 127.215  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 12041  
REMARK Energy: 50.5982  
  
Ignored bad PDB record found on line 12042  
REMARK SimpleFitness: 50.5982  
  
Ignored bad PDB record found on line 12043  
REMARK FullFitness: -1743.8602  
  
Ignored bad PDB record found on line 12044  
REMARK InterFull: -48.8862  
  
Ignored bad PDB record found on line 12045  
REMARK IntraFull: 127.462  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 12111  
REMARK Energy: 50.5982  
  
Ignored bad PDB record found on line 12112  
REMARK SimpleFitness: 50.5982  
  
Ignored bad PDB record found on line 12113  
REMARK FullFitness: -1743.8602  
  
Ignored bad PDB record found on line 12114  
REMARK InterFull: -48.8862  
  
Ignored bad PDB record found on line 12115  
REMARK IntraFull: 127.462  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 12181  
REMARK Energy: 50.5964  
  
Ignored bad PDB record found on line 12182  
REMARK SimpleFitness: 50.5964  
  
Ignored bad PDB record found on line 12183  
REMARK FullFitness: -1743.71  
  
Ignored bad PDB record found on line 12184  
REMARK InterFull: -48.713  
  
Ignored bad PDB record found on line 12185  
REMARK IntraFull: 127.467  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 12251  
REMARK Energy: 50.5964  
  
Ignored bad PDB record found on line 12252  
REMARK SimpleFitness: 50.5964  
  
Ignored bad PDB record found on line 12253  
REMARK FullFitness: -1743.71  
  
Ignored bad PDB record found on line 12254  
REMARK InterFull: -48.713  
  
Ignored bad PDB record found on line 12255  
REMARK IntraFull: 127.467  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 12321  
REMARK Energy: 50.5964  
  
Ignored bad PDB record found on line 12322  
REMARK SimpleFitness: 50.5964  
  
Ignored bad PDB record found on line 12323  
REMARK FullFitness: -1743.71  
  
Ignored bad PDB record found on line 12324  
REMARK InterFull: -48.713  
  
Ignored bad PDB record found on line 12325  
REMARK IntraFull: 127.467  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 12391  
REMARK Energy: 56.2707  
  
Ignored bad PDB record found on line 12392  
REMARK SimpleFitness: 56.2707  
  
Ignored bad PDB record found on line 12393  
REMARK FullFitness: -1744.796  
  
Ignored bad PDB record found on line 12394  
REMARK InterFull: -32.921  
  
Ignored bad PDB record found on line 12395  
REMARK IntraFull: 131.557  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 12461  
REMARK Energy: 56.2707  
  
Ignored bad PDB record found on line 12462  
REMARK SimpleFitness: 56.2707  
  
Ignored bad PDB record found on line 12463  
REMARK FullFitness: -1744.796  
  
Ignored bad PDB record found on line 12464  
REMARK InterFull: -32.921  
  
Ignored bad PDB record found on line 12465  
REMARK IntraFull: 131.557  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 12531  
REMARK Energy: 56.0734  
  
Ignored bad PDB record found on line 12532  
REMARK SimpleFitness: 56.0734  
  
Ignored bad PDB record found on line 12533  
REMARK FullFitness: -1744.6726  
  
Ignored bad PDB record found on line 12534  
REMARK InterFull: -34.0597  
  
Ignored bad PDB record found on line 12535  
REMARK IntraFull: 131.877  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 12601  
REMARK Energy: 56.0734  
  
Ignored bad PDB record found on line 12602  
REMARK SimpleFitness: 56.0734  
  
Ignored bad PDB record found on line 12603  
REMARK FullFitness: -1744.6726  
  
Ignored bad PDB record found on line 12604  
REMARK InterFull: -34.0597  
  
Ignored bad PDB record found on line 12605  
REMARK IntraFull: 131.877  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 12671  
REMARK Energy: 56.0734  
  
Ignored bad PDB record found on line 12672  
REMARK SimpleFitness: 56.0734  
  
Ignored bad PDB record found on line 12673  
REMARK FullFitness: -1744.6726  
  
Ignored bad PDB record found on line 12674  
REMARK InterFull: -34.0597  
  
Ignored bad PDB record found on line 12675  
REMARK IntraFull: 131.877  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 12741  
REMARK Energy: 56.5008  
  
Ignored bad PDB record found on line 12742  
REMARK SimpleFitness: 56.5008  
  
Ignored bad PDB record found on line 12743  
REMARK FullFitness: -1744.5715  
  
Ignored bad PDB record found on line 12744  
REMARK InterFull: -33.7406  
  
Ignored bad PDB record found on line 12745  
REMARK IntraFull: 131.843  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 12811  
REMARK Energy: 56.5008  
  
Ignored bad PDB record found on line 12812  
REMARK SimpleFitness: 56.5008  
  
Ignored bad PDB record found on line 12813  
REMARK FullFitness: -1744.5715  
  
Ignored bad PDB record found on line 12814  
REMARK InterFull: -33.7406  
  
Ignored bad PDB record found on line 12815  
REMARK IntraFull: 131.843  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 12881  
REMARK Energy: 56.5008  
  
Ignored bad PDB record found on line 12882  
REMARK SimpleFitness: 56.5008  
  
Ignored bad PDB record found on line 12883  
REMARK FullFitness: -1744.5715  
  
Ignored bad PDB record found on line 12884  
REMARK InterFull: -33.7406  
  
Ignored bad PDB record found on line 12885  
REMARK IntraFull: 131.843  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 12951  
REMARK Energy: 51.6224  
  
Ignored bad PDB record found on line 12952  
REMARK SimpleFitness: 51.6224  
  
Ignored bad PDB record found on line 12953  
REMARK FullFitness: -1744.7633  
  
Ignored bad PDB record found on line 12954  
REMARK InterFull: -42.2622  
  
Ignored bad PDB record found on line 12955  
REMARK IntraFull: 127.646  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 13021  
REMARK Energy: 51.6685  
  
Ignored bad PDB record found on line 13022  
REMARK SimpleFitness: 51.6685  
  
Ignored bad PDB record found on line 13023  
REMARK FullFitness: -1744.6771  
  
Ignored bad PDB record found on line 13024  
REMARK InterFull: -42.4982  
  
Ignored bad PDB record found on line 13025  
REMARK IntraFull: 127.823  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 13091  
REMARK Energy: 51.6685  
  
Ignored bad PDB record found on line 13092  
REMARK SimpleFitness: 51.6685  
  
Ignored bad PDB record found on line 13093  
REMARK FullFitness: -1744.6771  
  
Ignored bad PDB record found on line 13094  
REMARK InterFull: -42.4982  
  
Ignored bad PDB record found on line 13095  
REMARK IntraFull: 127.823  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 13161  
REMARK Energy: 51.6685  
  
Ignored bad PDB record found on line 13162  
REMARK SimpleFitness: 51.6685  
  
Ignored bad PDB record found on line 13163  
REMARK FullFitness: -1744.6771  
  
Ignored bad PDB record found on line 13164  
REMARK InterFull: -42.4982  
  
Ignored bad PDB record found on line 13165  
REMARK IntraFull: 127.823  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 13231  
REMARK Energy: 51.7499  
  
Ignored bad PDB record found on line 13232  
REMARK SimpleFitness: 51.7499  
  
Ignored bad PDB record found on line 13233  
REMARK FullFitness: -1744.3738  
  
Ignored bad PDB record found on line 13234  
REMARK InterFull: -41.7057  
  
Ignored bad PDB record found on line 13235  
REMARK IntraFull: 127.622  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 13301  
REMARK Energy: 53.9742  
  
Ignored bad PDB record found on line 13302  
REMARK SimpleFitness: 53.9742  
  
Ignored bad PDB record found on line 13303  
REMARK FullFitness: -1740.241  
  
Ignored bad PDB record found on line 13304  
REMARK InterFull: -37.9429  
  
Ignored bad PDB record found on line 13305  
REMARK IntraFull: 128.679  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 13371  
REMARK Energy: 54.2671  
  
Ignored bad PDB record found on line 13372  
REMARK SimpleFitness: 54.2671  
  
Ignored bad PDB record found on line 13373  
REMARK FullFitness: -1739.6313  
  
Ignored bad PDB record found on line 13374  
REMARK InterFull: -37.2174  
  
Ignored bad PDB record found on line 13375  
REMARK IntraFull: 128.361  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 13441  
REMARK Energy: 54.4783  
  
Ignored bad PDB record found on line 13442  
REMARK SimpleFitness: 54.4783  
  
Ignored bad PDB record found on line 13443  
REMARK FullFitness: -1738.3578  
  
Ignored bad PDB record found on line 13444  
REMARK InterFull: -36.1737  
  
Ignored bad PDB record found on line 13445  
REMARK IntraFull: 128.288  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 13511  
REMARK Energy: 49.1969  
  
Ignored bad PDB record found on line 13512  
REMARK SimpleFitness: 49.1969  
  
Ignored bad PDB record found on line 13513  
REMARK FullFitness: -1744.322  
  
Ignored bad PDB record found on line 13514  
REMARK InterFull: -44.225  
  
Ignored bad PDB record found on line 13515  
REMARK IntraFull: 128.492  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 13581  
REMARK Energy: 49.1969  
  
Ignored bad PDB record found on line 13582  
REMARK SimpleFitness: 49.1969  
  
Ignored bad PDB record found on line 13583  
REMARK FullFitness: -1744.322  
  
Ignored bad PDB record found on line 13584  
REMARK InterFull: -44.225  
  
Ignored bad PDB record found on line 13585  
REMARK IntraFull: 128.492  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 13651  
REMARK Energy: 49.1969  
  
Ignored bad PDB record found on line 13652  
REMARK SimpleFitness: 49.1969  
  
Ignored bad PDB record found on line 13653  
REMARK FullFitness: -1744.322  
  
Ignored bad PDB record found on line 13654  
REMARK InterFull: -44.225  
  
Ignored bad PDB record found on line 13655  
REMARK IntraFull: 128.492  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 13721  
REMARK Energy: 49.7103  
  
Ignored bad PDB record found on line 13722  
REMARK SimpleFitness: 49.7103  
  
Ignored bad PDB record found on line 13723  
REMARK FullFitness: -1744.2312  
  
Ignored bad PDB record found on line 13724  
REMARK InterFull: -44.2461  
  
Ignored bad PDB record found on line 13725  
REMARK IntraFull: 128.72  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 13791  
REMARK Energy: 49.7103  
  
Ignored bad PDB record found on line 13792  
REMARK SimpleFitness: 49.7103  
  
Ignored bad PDB record found on line 13793  
REMARK FullFitness: -1744.2312  
  
Ignored bad PDB record found on line 13794  
REMARK InterFull: -44.2461  
  
Ignored bad PDB record found on line 13795  
REMARK IntraFull: 128.72  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 13861  
REMARK Energy: 50.7071  
  
Ignored bad PDB record found on line 13862  
REMARK SimpleFitness: 50.7071  
  
Ignored bad PDB record found on line 13863  
REMARK FullFitness: -1742.5168  
  
Ignored bad PDB record found on line 13864  
REMARK InterFull: -42.2228  
  
Ignored bad PDB record found on line 13865  
REMARK IntraFull: 131.82  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 13931  
REMARK Energy: 50.7071  
  
Ignored bad PDB record found on line 13932  
REMARK SimpleFitness: 50.7071  
  
Ignored bad PDB record found on line 13933  
REMARK FullFitness: -1742.5168  
  
Ignored bad PDB record found on line 13934  
REMARK InterFull: -42.2228  
  
Ignored bad PDB record found on line 13935  
REMARK IntraFull: 131.82  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 14001  
REMARK Energy: 50.7071  
  
Ignored bad PDB record found on line 14002  
REMARK SimpleFitness: 50.7071  
  
Ignored bad PDB record found on line 14003  
REMARK FullFitness: -1742.5168  
  
Ignored bad PDB record found on line 14004  
REMARK InterFull: -42.2228  
  
Ignored bad PDB record found on line 14005  
REMARK IntraFull: 131.82  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 14071  
REMARK Energy: 55.3956  
  
Ignored bad PDB record found on line 14072  
REMARK SimpleFitness: 55.3956  
  
Ignored bad PDB record found on line 14073  
REMARK FullFitness: -1743.7549  
  
Ignored bad PDB record found on line 14074  
REMARK InterFull: -35.721  
  
Ignored bad PDB record found on line 14075  
REMARK IntraFull: 126.229  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 14141  
REMARK Energy: 55.3956  
  
Ignored bad PDB record found on line 14142  
REMARK SimpleFitness: 55.3956  
  
Ignored bad PDB record found on line 14143  
REMARK FullFitness: -1743.7549  
  
Ignored bad PDB record found on line 14144  
REMARK InterFull: -35.721  
  
Ignored bad PDB record found on line 14145  
REMARK IntraFull: 126.229  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 14211  
REMARK Energy: 55.807  
  
Ignored bad PDB record found on line 14212  
REMARK SimpleFitness: 55.807  
  
Ignored bad PDB record found on line 14213  
REMARK FullFitness: -1743.6837  
  
Ignored bad PDB record found on line 14214  
REMARK InterFull: -35.4507  
  
Ignored bad PDB record found on line 14215  
REMARK IntraFull: 126.287  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 14281  
REMARK Energy: 55.807  
  
Ignored bad PDB record found on line 14282  
REMARK SimpleFitness: 55.807  
  
Ignored bad PDB record found on line 14283  
REMARK FullFitness: -1743.6837  
  
Ignored bad PDB record found on line 14284  
REMARK InterFull: -35.4507  
  
Ignored bad PDB record found on line 14285  
REMARK IntraFull: 126.287  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 14351  
REMARK Energy: 55.807  
  
Ignored bad PDB record found on line 14352  
REMARK SimpleFitness: 55.807  
  
Ignored bad PDB record found on line 14353  
REMARK FullFitness: -1743.6837  
  
Ignored bad PDB record found on line 14354  
REMARK InterFull: -35.4507  
  
Ignored bad PDB record found on line 14355  
REMARK IntraFull: 126.287  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 14421  
REMARK Energy: 55.807  
  
Ignored bad PDB record found on line 14422  
REMARK SimpleFitness: 55.807  
  
Ignored bad PDB record found on line 14423  
REMARK FullFitness: -1743.6837  
  
Ignored bad PDB record found on line 14424  
REMARK InterFull: -35.4507  
  
Ignored bad PDB record found on line 14425  
REMARK IntraFull: 126.287  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 14491  
REMARK Energy: 55.3373  
  
Ignored bad PDB record found on line 14492  
REMARK SimpleFitness: 55.3373  
  
Ignored bad PDB record found on line 14493  
REMARK FullFitness: -1743.5051  
  
Ignored bad PDB record found on line 14494  
REMARK InterFull: -35.5101  
  
Ignored bad PDB record found on line 14495  
REMARK IntraFull: 126.243  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 14561  
REMARK Energy: 55.3373  
  
Ignored bad PDB record found on line 14562  
REMARK SimpleFitness: 55.3373  
  
Ignored bad PDB record found on line 14563  
REMARK FullFitness: -1743.5051  
  
Ignored bad PDB record found on line 14564  
REMARK InterFull: -35.5101  
  
Ignored bad PDB record found on line 14565  
REMARK IntraFull: 126.243  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 14631  
REMARK Energy: 50.5175  
  
Ignored bad PDB record found on line 14632  
REMARK SimpleFitness: 50.5175  
  
Ignored bad PDB record found on line 14633  
REMARK FullFitness: -1743.6388  
  
Ignored bad PDB record found on line 14634  
REMARK InterFull: -45.5137  
  
Ignored bad PDB record found on line 14635  
REMARK IntraFull: 131.991  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 14701  
REMARK Energy: 54.3515  
  
Ignored bad PDB record found on line 14702  
REMARK SimpleFitness: 54.3515  
  
Ignored bad PDB record found on line 14703  
REMARK FullFitness: -1736.5258  
  
Ignored bad PDB record found on line 14704  
REMARK InterFull: -42.6277  
  
Ignored bad PDB record found on line 14705  
REMARK IntraFull: 133.678  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 14771  
REMARK Energy: 57.6997  
  
Ignored bad PDB record found on line 14772  
REMARK SimpleFitness: 57.6997  
  
Ignored bad PDB record found on line 14773  
REMARK FullFitness: -1730.8596  
  
Ignored bad PDB record found on line 14774  
REMARK InterFull: -33.8345  
  
Ignored bad PDB record found on line 14775  
REMARK IntraFull: 135.643  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 14841  
REMARK Energy: 54.5935  
  
Ignored bad PDB record found on line 14842  
REMARK SimpleFitness: 54.5935  
  
Ignored bad PDB record found on line 14843  
REMARK FullFitness: -1741.5659  
  
Ignored bad PDB record found on line 14844  
REMARK InterFull: -42.1968  
  
Ignored bad PDB record found on line 14845  
REMARK IntraFull: 132.941  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 14911  
REMARK Energy: 54.5935  
  
Ignored bad PDB record found on line 14912  
REMARK SimpleFitness: 54.5935  
  
Ignored bad PDB record found on line 14913  
REMARK FullFitness: -1741.5659  
  
Ignored bad PDB record found on line 14914  
REMARK InterFull: -42.1968  
  
Ignored bad PDB record found on line 14915  
REMARK IntraFull: 132.941  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 14981  
REMARK Energy: 54.5935  
  
Ignored bad PDB record found on line 14982  
REMARK SimpleFitness: 54.5935  
  
Ignored bad PDB record found on line 14983  
REMARK FullFitness: -1741.5659  
  
Ignored bad PDB record found on line 14984  
REMARK InterFull: -42.1968  
  
Ignored bad PDB record found on line 14985  
REMARK IntraFull: 132.941  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 15051  
REMARK Energy: 54.5935  
  
Ignored bad PDB record found on line 15052  
REMARK SimpleFitness: 54.5935  
  
Ignored bad PDB record found on line 15053  
REMARK FullFitness: -1741.5659  
  
Ignored bad PDB record found on line 15054  
REMARK InterFull: -42.1968  
  
Ignored bad PDB record found on line 15055  
REMARK IntraFull: 132.941  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 15121  
REMARK Energy: 54.6102  
  
Ignored bad PDB record found on line 15122  
REMARK SimpleFitness: 54.6102  
  
Ignored bad PDB record found on line 15123  
REMARK FullFitness: -1741.4221  
  
Ignored bad PDB record found on line 15124  
REMARK InterFull: -42.3372  
  
Ignored bad PDB record found on line 15125  
REMARK IntraFull: 133.043  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 15191  
REMARK Energy: 54.6102  
  
Ignored bad PDB record found on line 15192  
REMARK SimpleFitness: 54.6102  
  
Ignored bad PDB record found on line 15193  
REMARK FullFitness: -1741.4221  
  
Ignored bad PDB record found on line 15194  
REMARK InterFull: -42.3372  
  
Ignored bad PDB record found on line 15195  
REMARK IntraFull: 133.043  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 15261  
REMARK Energy: 54.6144  
  
Ignored bad PDB record found on line 15262  
REMARK SimpleFitness: 54.6144  
  
Ignored bad PDB record found on line 15263  
REMARK FullFitness: -1741.2562  
  
Ignored bad PDB record found on line 15264  
REMARK InterFull: -42.1833  
  
Ignored bad PDB record found on line 15265  
REMARK IntraFull: 133.035  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 15331  
REMARK Energy: 54.6144  
  
Ignored bad PDB record found on line 15332  
REMARK SimpleFitness: 54.6144  
  
Ignored bad PDB record found on line 15333  
REMARK FullFitness: -1741.2562  
  
Ignored bad PDB record found on line 15334  
REMARK InterFull: -42.1833  
  
Ignored bad PDB record found on line 15335  
REMARK IntraFull: 133.035  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 15401  
REMARK Energy: 51.3537  
  
Ignored bad PDB record found on line 15402  
REMARK SimpleFitness: 51.3537  
  
Ignored bad PDB record found on line 15403  
REMARK FullFitness: -1741.4534  
  
Ignored bad PDB record found on line 15404  
REMARK InterFull: -54.0624  
  
Ignored bad PDB record found on line 15405  
REMARK IntraFull: 133.426  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 15471  
REMARK Energy: 51.1613  
  
Ignored bad PDB record found on line 15472  
REMARK SimpleFitness: 51.1613  
  
Ignored bad PDB record found on line 15473  
REMARK FullFitness: -1741.4268  
  
Ignored bad PDB record found on line 15474  
REMARK InterFull: -54.3897  
  
Ignored bad PDB record found on line 15475  
REMARK IntraFull: 133.72  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 15541  
REMARK Energy: 51.1613  
  
Ignored bad PDB record found on line 15542  
REMARK SimpleFitness: 51.1613  
  
Ignored bad PDB record found on line 15543  
REMARK FullFitness: -1741.4268  
  
Ignored bad PDB record found on line 15544  
REMARK InterFull: -54.3897  
  
Ignored bad PDB record found on line 15545  
REMARK IntraFull: 133.72  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 15611  
REMARK Energy: 51.9349  
  
Ignored bad PDB record found on line 15612  
REMARK SimpleFitness: 51.9349  
  
Ignored bad PDB record found on line 15613  
REMARK FullFitness: -1741.2812  
  
Ignored bad PDB record found on line 15614  
REMARK InterFull: -53.2453  
  
Ignored bad PDB record found on line 15615  
REMARK IntraFull: 133.145  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 15681  
REMARK Energy: 51.7596  
  
Ignored bad PDB record found on line 15682  
REMARK SimpleFitness: 51.7596  
  
Ignored bad PDB record found on line 15683  
REMARK FullFitness: -1740.8286  
  
Ignored bad PDB record found on line 15684  
REMARK InterFull: -53.3037  
  
Ignored bad PDB record found on line 15685  
REMARK IntraFull: 133.915  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 15751  
REMARK Energy: 51.8272  
  
Ignored bad PDB record found on line 15752  
REMARK SimpleFitness: 51.8272  
  
Ignored bad PDB record found on line 15753  
REMARK FullFitness: -1740.742  
  
Ignored bad PDB record found on line 15754  
REMARK InterFull: -53.175  
  
Ignored bad PDB record found on line 15755  
REMARK IntraFull: 133.736  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 15821  
REMARK Energy: 51.8272  
  
Ignored bad PDB record found on line 15822  
REMARK SimpleFitness: 51.8272  
  
Ignored bad PDB record found on line 15823  
REMARK FullFitness: -1740.742  
  
Ignored bad PDB record found on line 15824  
REMARK InterFull: -53.175  
  
Ignored bad PDB record found on line 15825  
REMARK IntraFull: 133.736  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 15891  
REMARK Energy: 52.0983  
  
Ignored bad PDB record found on line 15892  
REMARK SimpleFitness: 52.0983  
  
Ignored bad PDB record found on line 15893  
REMARK FullFitness: -1740.0266  
  
Ignored bad PDB record found on line 15894  
REMARK InterFull: -52.8086  
  
Ignored bad PDB record found on line 15895  
REMARK IntraFull: 134.694  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 15961  
REMARK Energy: 55.6594  
  
Ignored bad PDB record found on line 15962  
REMARK SimpleFitness: 55.6594  
  
Ignored bad PDB record found on line 15963  
REMARK FullFitness: -1741.4111  
  
Ignored bad PDB record found on line 15964  
REMARK InterFull: -42.8511  
  
Ignored bad PDB record found on line 15965  
REMARK IntraFull: 127.213  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 16031  
REMARK Energy: 55.6594  
  
Ignored bad PDB record found on line 16032  
REMARK SimpleFitness: 55.6594  
  
Ignored bad PDB record found on line 16033  
REMARK FullFitness: -1741.4111  
  
Ignored bad PDB record found on line 16034  
REMARK InterFull: -42.8511  
  
Ignored bad PDB record found on line 16035  
REMARK IntraFull: 127.213  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 16101  
REMARK Energy: 56.4401  
  
Ignored bad PDB record found on line 16102  
REMARK SimpleFitness: 56.4401  
  
Ignored bad PDB record found on line 16103  
REMARK FullFitness: -1741.2777  
  
Ignored bad PDB record found on line 16104  
REMARK InterFull: -41.2168  
  
Ignored bad PDB record found on line 16105  
REMARK IntraFull: 126.348  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 16171  
REMARK Energy: 56.6598  
  
Ignored bad PDB record found on line 16172  
REMARK SimpleFitness: 56.6598  
  
Ignored bad PDB record found on line 16173  
REMARK FullFitness: -1740.8931  
  
Ignored bad PDB record found on line 16174  
REMARK InterFull: -40.8121  
  
Ignored bad PDB record found on line 16175  
REMARK IntraFull: 126.468  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 16241  
REMARK Energy: 56.6598  
  
Ignored bad PDB record found on line 16242  
REMARK SimpleFitness: 56.6598  
  
Ignored bad PDB record found on line 16243  
REMARK FullFitness: -1740.8931  
  
Ignored bad PDB record found on line 16244  
REMARK InterFull: -40.8121  
  
Ignored bad PDB record found on line 16245  
REMARK IntraFull: 126.468  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 16311  
REMARK Energy: 56.6598  
  
Ignored bad PDB record found on line 16312  
REMARK SimpleFitness: 56.6598  
  
Ignored bad PDB record found on line 16313  
REMARK FullFitness: -1740.8931  
  
Ignored bad PDB record found on line 16314  
REMARK InterFull: -40.8121  
  
Ignored bad PDB record found on line 16315  
REMARK IntraFull: 126.468  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 16381  
REMARK Energy: 56.6598  
  
Ignored bad PDB record found on line 16382  
REMARK SimpleFitness: 56.6598  
  
Ignored bad PDB record found on line 16383  
REMARK FullFitness: -1740.8931  
  
Ignored bad PDB record found on line 16384  
REMARK InterFull: -40.8121  
  
Ignored bad PDB record found on line 16385  
REMARK IntraFull: 126.468  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 16451  
REMARK Energy: 56.6598  
  
Ignored bad PDB record found on line 16452  
REMARK SimpleFitness: 56.6598  
  
Ignored bad PDB record found on line 16453  
REMARK FullFitness: -1740.8931  
  
Ignored bad PDB record found on line 16454  
REMARK InterFull: -40.8121  
  
Ignored bad PDB record found on line 16455  
REMARK IntraFull: 126.468  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 16521  
REMARK Energy: 58.9648  
  
Ignored bad PDB record found on line 16522  
REMARK SimpleFitness: 58.9648  
  
Ignored bad PDB record found on line 16523  
REMARK FullFitness: -1741.3499  
  
Ignored bad PDB record found on line 16524  
REMARK InterFull: -26.9399  
  
Ignored bad PDB record found on line 16525  
REMARK IntraFull: 134.059  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 16591  
REMARK Energy: 58.9648  
  
Ignored bad PDB record found on line 16592  
REMARK SimpleFitness: 58.9648  
  
Ignored bad PDB record found on line 16593  
REMARK FullFitness: -1741.3499  
  
Ignored bad PDB record found on line 16594  
REMARK InterFull: -26.9399  
  
Ignored bad PDB record found on line 16595  
REMARK IntraFull: 134.059  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 16661  
REMARK Energy: 58.9648  
  
Ignored bad PDB record found on line 16662  
REMARK SimpleFitness: 58.9648  
  
Ignored bad PDB record found on line 16663  
REMARK FullFitness: -1741.3499  
  
Ignored bad PDB record found on line 16664  
REMARK InterFull: -26.9399  
  
Ignored bad PDB record found on line 16665  
REMARK IntraFull: 134.059  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 16731  
REMARK Energy: 58.9648  
  
Ignored bad PDB record found on line 16732  
REMARK SimpleFitness: 58.9648  
  
Ignored bad PDB record found on line 16733  
REMARK FullFitness: -1741.3499  
  
Ignored bad PDB record found on line 16734  
REMARK InterFull: -26.9399  
  
Ignored bad PDB record found on line 16735  
REMARK IntraFull: 134.059  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 16801  
REMARK Energy: 58.9321  
  
Ignored bad PDB record found on line 16802  
REMARK SimpleFitness: 58.9321  
  
Ignored bad PDB record found on line 16803  
REMARK FullFitness: -1741.2445  
  
Ignored bad PDB record found on line 16804  
REMARK InterFull: -27.0316  
  
Ignored bad PDB record found on line 16805  
REMARK IntraFull: 134.044  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 16871  
REMARK Energy: 58.9321  
  
Ignored bad PDB record found on line 16872  
REMARK SimpleFitness: 58.9321  
  
Ignored bad PDB record found on line 16873  
REMARK FullFitness: -1741.2445  
  
Ignored bad PDB record found on line 16874  
REMARK InterFull: -27.0316  
  
Ignored bad PDB record found on line 16875  
REMARK IntraFull: 134.044  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 16941  
REMARK Energy: 58.9321  
  
Ignored bad PDB record found on line 16942  
REMARK SimpleFitness: 58.9321  
  
Ignored bad PDB record found on line 16943  
REMARK FullFitness: -1741.2445  
  
Ignored bad PDB record found on line 16944  
REMARK InterFull: -27.0316  
  
Ignored bad PDB record found on line 16945  
REMARK IntraFull: 134.044  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 17011  
REMARK Energy: 58.2048  
  
Ignored bad PDB record found on line 17012  
REMARK SimpleFitness: 58.2048  
  
Ignored bad PDB record found on line 17013  
REMARK FullFitness: -1739.641  
  
Ignored bad PDB record found on line 17014  
REMARK InterFull: -29.8659  
  
Ignored bad PDB record found on line 17015  
REMARK IntraFull: 134.31  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 17081  
REMARK Energy: 48.5797  
  
Ignored bad PDB record found on line 17082  
REMARK SimpleFitness: 48.5797  
  
Ignored bad PDB record found on line 17083  
REMARK FullFitness: -1740.8344  
  
Ignored bad PDB record found on line 17084  
REMARK InterFull: -40.0524  
  
Ignored bad PDB record found on line 17085  
REMARK IntraFull: 129.048  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 17151  
REMARK Energy: 48.6173  
  
Ignored bad PDB record found on line 17152  
REMARK SimpleFitness: 48.6173  
  
Ignored bad PDB record found on line 17153  
REMARK FullFitness: -1740.7709  
  
Ignored bad PDB record found on line 17154  
REMARK InterFull: -46.7208  
  
Ignored bad PDB record found on line 17155  
REMARK IntraFull: 128.458  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 17221  
REMARK Energy: 48.7947  
  
Ignored bad PDB record found on line 17222  
REMARK SimpleFitness: 48.7947  
  
Ignored bad PDB record found on line 17223  
REMARK FullFitness: -1740.5691  
  
Ignored bad PDB record found on line 17224  
REMARK InterFull: -47.1213  
  
Ignored bad PDB record found on line 17225  
REMARK IntraFull: 128.684  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 17291  
REMARK Energy: 51.2212  
  
Ignored bad PDB record found on line 17292  
REMARK SimpleFitness: 51.2212  
  
Ignored bad PDB record found on line 17293  
REMARK FullFitness: -1737.0854  
  
Ignored bad PDB record found on line 17294  
REMARK InterFull: -39.2714  
  
Ignored bad PDB record found on line 17295  
REMARK IntraFull: 131.224  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 17361  
REMARK Energy: 52.1334  
  
Ignored bad PDB record found on line 17362  
REMARK SimpleFitness: 52.1334  
  
Ignored bad PDB record found on line 17363  
REMARK FullFitness: -1740.4796  
  
Ignored bad PDB record found on line 17364  
REMARK InterFull: -42.5335  
  
Ignored bad PDB record found on line 17365  
REMARK IntraFull: 127.825  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 17431  
REMARK Energy: 53.1332  
  
Ignored bad PDB record found on line 17432  
REMARK SimpleFitness: 53.1332  
  
Ignored bad PDB record found on line 17433  
REMARK FullFitness: -1736.5927  
  
Ignored bad PDB record found on line 17434  
REMARK InterFull: -49.5615  
  
Ignored bad PDB record found on line 17435  
REMARK IntraFull: 132.027  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 17501  
REMARK Energy: 58.6306  
  
Ignored bad PDB record found on line 17502  
REMARK SimpleFitness: 58.6306  
  
Ignored bad PDB record found on line 17503  
REMARK FullFitness: -1733.4001  
  
Ignored bad PDB record found on line 17504  
REMARK InterFull: -59.1862  
  
Ignored bad PDB record found on line 17505  
REMARK IntraFull: 140.102  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 17571  
REMARK Energy: 60.6298  
  
Ignored bad PDB record found on line 17572  
REMARK SimpleFitness: 60.6298  
  
Ignored bad PDB record found on line 17573  
REMARK FullFitness: -1728.8743  
  
Ignored bad PDB record found on line 17574  
REMARK InterFull: -48.6371  
  
Ignored bad PDB record found on line 17575  
REMARK IntraFull: 136.98  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 17641  
REMARK Energy: 60.6044  
  
Ignored bad PDB record found on line 17642  
REMARK SimpleFitness: 60.6044  
  
Ignored bad PDB record found on line 17643  
REMARK FullFitness: -1728.6964  
  
Ignored bad PDB record found on line 17644  
REMARK InterFull: -48.6105  
  
Ignored bad PDB record found on line 17645  
REMARK IntraFull: 136.892  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 17711  
REMARK Energy: 61.1935  
  
Ignored bad PDB record found on line 17712  
REMARK SimpleFitness: 61.1935  
  
Ignored bad PDB record found on line 17713  
REMARK FullFitness: -1723.1531  
  
Ignored bad PDB record found on line 17714  
REMARK InterFull: -48.6592  
  
Ignored bad PDB record found on line 17715  
REMARK IntraFull: 141.57  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 17781  
REMARK Energy: 60.1381  
  
Ignored bad PDB record found on line 17782  
REMARK SimpleFitness: 60.1381  
  
Ignored bad PDB record found on line 17783  
REMARK FullFitness: -1727.6652  
  
Ignored bad PDB record found on line 17784  
REMARK InterFull: -42.3153  
  
Ignored bad PDB record found on line 17785  
REMARK IntraFull: 133.904  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
Ignored bad PDB record found on line 17851  
REMARK Energy: 60.3788  
  
Ignored bad PDB record found on line 17852  
REMARK SimpleFitness: 60.3788  
  
Ignored bad PDB record found on line 17853  
REMARK FullFitness: -1727.6194  
  
Ignored bad PDB record found on line 17854  
REMARK InterFull: -41.3863  
  
Ignored bad PDB record found on line 17855  
REMARK IntraFull: 134.099  
  
14 messages similar to the above omitted  
Duplicate atom serial number found: 7541  
Duplicate atom serial number found: 7542  
Duplicate atom serial number found: 7543  
Duplicate atom serial number found: 7544  
Duplicate atom serial number found: 7545  
45 messages similar to the above omitted  
  

> open "C:/Users/AG Falcone ADMIN/Desktop/data/ALDH/6dum/6dum.pdb"

6dum.pdb title:  
ALDH1A1 N121S In complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-
(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-D]pyrimidin-4-one (compound
13G) [more info...]  
  
Chain information for 6dum.pdb #3  
---  
Chain | Description  
A | retinal dehydrogenase 1  
  
Non-standard residues in 6dum.pdb #3  
---  
A5Y —
6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-D]pyrimidin-4-one  
CL — chloride ion  
NAI — 1,4-dihydronicotinamide adenine dinucleotide (NADH)  
YB — ytterbium (III) ion  
  

> matchmaker #3 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker target.pdb, chain (blank) (#1) with 6dum.pdb, chain A (#3),
sequence alignment score = 1673.2  
RMSD between 467 pruned atom pairs is 0.815 angstroms; (across all 490 pairs:
1.327)  
  

> open "C:/Users/AG Falcone ADMIN/Desktop/data/ALDH/selected models -
> 312er/SWISS-MODEL_Smp_312440.1.pdb"

SWISS-MODEL_Smp_312440.1.pdb title:  
SWISS-MODEL SERVER (https://swissmodel.expasy.org) Smp_312440.1 [more info...]  
  
Chain information for SWISS-MODEL_Smp_312440.1.pdb #4  
---  
Chain | Description  
A B C D | No description available  
  

> matchmaker #4 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker target.pdb, chain (blank) (#1) with SWISS-MODEL_Smp_312440.1.pdb,
chain B (#4), sequence alignment score = 2416.7  
RMSD between 464 pruned atom pairs is 0.778 angstroms; (across all 487 pairs:
0.989)  
  

> lighting full

> color bychain

> select #1

7540 atoms, 7613 bonds, 5 pseudobonds, 491 residues, 3 models selected  

> show sel surfaces

> ~select #1

1 model selected  

> select #2

12800 atoms, 811727 bonds, 1 residue, 1 model selected  

> ~select #2

Nothing selected  

> select #2

12800 atoms, 811727 bonds, 1 residue, 1 model selected  

> color sel orange

> select clear

> save "C:/Users/AG Falcone ADMIN/Desktop/data/ALDH/MWs ALDH
> drugs/docking/SwissDock/312er_Dzn_ref_swissdockd_6iPgjj_1XY8F9KFMAKB7TBGVD9I/312er_Dzn_ref_swissdockd_6iPgjj_1XY8F9KFMAKB7TBGVD9I.cxs"

——— End of log from Thu Oct 28 15:33:39 2021 ———

opened ChimeraX session  

> save C:/Users/lukas/Downloads/testexport_chimera.glb

Traceback (most recent call last):  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 116, in <lambda>  
lambda *args, ses=session: show_save_file_dialog(ses), tool_tip="Save output
file",  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 127, in show_save_file_dialog  
_dlg.display(session, **kw)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 51, in display  
run(session, cmd)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run  
results = command.run(text, log=log, return_json=return_json)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run  
result = ci.function(session, **kw_args)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 75, in cmd_save  
Command(session, registry=registry).run(provider_cmd_text, log=log)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run  
result = ci.function(session, **kw_args)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 90, in provider_save  
saver_info.save(session, path, **provider_kw)  
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\gltf\\__init__.py", line 41, in save  
gltf.write_gltf(session, path, models, **kw)  
File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\gltf\gltf.py",
line 444, in write_gltf  
encode_gltf(nodes, buffers, meshes, materials, filename)  
File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\gltf\gltf.py",
line 507, in encode_gltf  
blen = to_bytes(len(binc), uint32)  
File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\gltf\gltf.py",
line 524, in to_bytes  
ta = array((x,), dtype)  
OverflowError: Python int too large to convert to C long  
  
OverflowError: Python int too large to convert to C long  
  
File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\gltf\gltf.py",
line 524, in to_bytes  
ta = array((x,), dtype)  
  
See log for complete Python traceback.  
  




OpenGL version: 3.3.0 NVIDIA 531.41
OpenGL renderer: NVIDIA GeForce RTX 2070 with Max-Q Design/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation

Python: 3.9.11
Locale: de_DE.cp1252
Qt version: PyQt6 6.4.2, Qt 6.4.2
Qt runtime version: 6.4.3
Qt platform: windows

Manufacturer: LENOVO
Model: 82EH
OS: Microsoft Windows 10 Pro (Build 19045)
Memory: 16,971,386,880
MaxProcessMemory: 137,438,953,344
CPU: 16 Intel(R) Core(TM) i7-10875H CPU @ 2.30GHz
OSLanguage: de-DE

Installed Packages:
    alabaster: 0.7.13
    appdirs: 1.4.4
    asttokens: 2.2.1
    Babel: 2.12.1
    backcall: 0.2.0
    beautifulsoup4: 4.11.2
    blockdiag: 3.0.0
    build: 0.10.0
    certifi: 2023.5.7
    cftime: 1.6.2
    charset-normalizer: 3.1.0
    ChimeraX-AddCharge: 1.5.9.1
    ChimeraX-AddH: 2.2.5
    ChimeraX-AlignmentAlgorithms: 2.0.1
    ChimeraX-AlignmentHdrs: 3.3.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.9.3
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.0.3
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.43.10
    ChimeraX-AtomicLibrary: 10.0.6
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.3.2
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.1.2
    ChimeraX-BondRot: 2.0.1
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.8
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.2
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.3.2
    ChimeraX-ChangeChains: 1.0.2
    ChimeraX-CheckWaters: 1.3.1
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.3
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.6.1
    ChimeraX-CoreFormats: 1.1
    ChimeraX-coulombic: 1.4.2
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2
    ChimeraX-DistMonitor: 1.4
    ChimeraX-DockPrep: 1.1.1
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.1
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-Label: 1.1.7
    ChimeraX-ListInfo: 1.1.1
    ChimeraX-Log: 1.1.5
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.8.2
    ChimeraX-Map: 1.1.4
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.0.12
    ChimeraX-MDcrds: 2.6
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.12
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.9
    ChimeraX-ModelPanel: 1.3.7
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.0
    ChimeraX-NRRD: 1.0
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.10.1
    ChimeraX-PDB: 2.7.2
    ChimeraX-PDBBio: 1.0
    ChimeraX-PDBLibrary: 1.0.2
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1
    ChimeraX-PubChem: 2.1
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.1
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 3.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.1
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.8.3
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.1
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.10.3
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.1.2
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.2.1
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.1
    ChimeraX-Topography: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.28.4
    ChimeraX-uniprot: 2.2.2
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.1
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.1.3
    comtypes: 1.1.14
    contourpy: 1.0.7
    cxservices: 1.2.2
    cycler: 0.11.0
    Cython: 0.29.33
    debugpy: 1.6.7
    decorator: 5.1.1
    docutils: 0.19
    executing: 1.2.0
    filelock: 3.9.0
    fonttools: 4.39.3
    funcparserlib: 1.0.1
    grako: 3.16.5
    h5py: 3.8.0
    html2text: 2020.1.16
    idna: 3.4
    ihm: 0.35
    imagecodecs: 2022.9.26
    imagesize: 1.4.1
    importlib-metadata: 6.6.0
    ipykernel: 6.21.1
    ipython: 8.10.0
    ipython-genutils: 0.2.0
    ipywidgets: 8.0.6
    jedi: 0.18.2
    Jinja2: 3.1.2
    jupyter-client: 8.0.2
    jupyter-core: 5.3.0
    jupyterlab-widgets: 3.0.7
    kiwisolver: 1.4.4
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.2
    matplotlib: 3.6.3
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.5.6
    netCDF4: 1.6.2
    networkx: 2.8.8
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.4
    numpy: 1.23.5
    openvr: 1.23.701
    packaging: 23.1
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pickleshare: 0.7.5
    Pillow: 9.3.0
    pip: 23.0
    pkginfo: 1.9.6
    platformdirs: 3.5.0
    prompt-toolkit: 3.0.38
    psutil: 5.9.4
    pure-eval: 0.2.2
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.14.0
    pynrrd: 1.0.0
    PyOpenGL: 3.1.5
    PyOpenGL-accelerate: 3.1.5
    pyparsing: 3.0.9
    pyproject-hooks: 1.0.0
    PyQt6-commercial: 6.4.2
    PyQt6-Qt6: 6.4.3
    PyQt6-sip: 13.4.1
    PyQt6-WebEngine-commercial: 6.4.0
    PyQt6-WebEngine-Qt6: 6.4.3
    python-dateutil: 2.8.2
    pytz: 2023.3
    pywin32: 305
    pyzmq: 25.0.2
    qtconsole: 5.4.0
    QtPy: 2.3.1
    RandomWords: 0.4.0
    requests: 2.28.2
    scipy: 1.9.3
    setuptools: 67.4.0
    sfftk-rw: 0.7.3
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.4.1
    sphinx: 6.1.3
    sphinx-autodoc-typehints: 1.22
    sphinxcontrib-applehelp: 1.0.4
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.2
    sphinxcontrib-htmlhelp: 2.0.1
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.3
    sphinxcontrib-serializinghtml: 1.1.5
    stack-data: 0.6.2
    tables: 3.7.0
    tcia-utils: 1.2.0
    tifffile: 2022.10.10
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.3.1
    traitlets: 5.9.0
    typing-extensions: 4.5.0
    tzdata: 2023.3
    urllib3: 1.26.15
    wcwidth: 0.2.6
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.7
    WMI: 1.5.1
    zipp: 3.15.0

Change History (3)

comment:1 by Eric Pettersen, 2 years ago

Component: UnassignedInput/Output
Owner: set to Tom Goddard
Platform: all
Project: ChimeraX
Status: newassigned
Summary: ChimeraX bug report submissionWrite GLB: Python int too large to convert to C long

Reported by Lukas Sandhop

comment:2 by Tom Goddard, 2 years ago

Resolution: limitation
Status: assignedclosed

The error says you attempted to save a GLTF file that would exceed the 4 Gbyte limit GLTF imposes on binary chunks

"Buffers stored as GLB binary chunk have an implicit limit of 232-1 bytes."

from the GLTF 2.0 spec

https://registry.khronos.org/glTF/specs/2.0/glTF-2.0.html#binary-data-storage

It is unfortunate that GLTF has this limitation. On the other hand, a 4 GB GLTF scene is likely to be too large to render by any existing software. I think the only way you are likely to create such a large scene in ChimeraX is by showing large volume data in image style (semi-transparent gray levels) where the GLTF will try to store the entire displayed volume.

comment:3 by Tom Goddard, 2 years ago

Trac modified the super script. The limit in the previous comment is 232 - 1, ie 2 to the 32 power minus 1.

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