#9750 closed defect (limitation)
Write GLB: Python int too large to convert to C long
| Reported by: | 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 , 2 years ago
| Component: | Unassigned → Input/Output |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → assigned |
| Summary: | ChimeraX bug report submission → Write GLB: Python int too large to convert to C long |
comment:2 by , 2 years ago
| Resolution: | → limitation |
|---|---|
| Status: | assigned → closed |
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 , 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.
Reported by Lukas Sandhop