Opened 4 years ago
Last modified 3 years ago
#6683 feedback defect
No error
Reported by: | Owned by: | Eric Pettersen | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Core | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description (last modified by )
The following bug report has been submitted: Platform: Windows-10-10.0.19041 ChimeraX Version: 1.2.5 (2021-05-24 04:13:57 UTC) Description (Describe the actions that caused this problem to occur here) Log: UCSF ChimeraX version: 1.2.5 (2021-05-24) © 2016-2021 Regents of the University of California. All rights reserved. > open > E:/Project_MCR/mcr-1/Autodock_docking/new_Result/new_mcr-1_hid/volume_mcr-1_hid_ST3c_ST3e_ST3f_ST3b_ST4g.cxs Log from Fri Apr 22 00:38:43 2022UCSF ChimeraX version: 1.2.5 (2021-05-24) © 2016-2021 Regents of the University of California. All rights reserved. > open E:\Project_MCR\data\MS_mcr-1_mcr-3\Result\Volume_depht\mcr-1-3.cxs > format session Log from Thu Apr 21 17:07:05 2022UCSF 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 > E:/Project_MCR/data/MS_mcr-1_mcr-3/Result/Volume_depht/mcr-1_hid_cluster/mcr-1_hid_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb Summary of feedback from opening E:/Project_MCR/data/MS_mcr-1_mcr-3/Result/Volume_depht/mcr-1_hid_cluster/mcr-1_hid_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb --- warning | Ignored bad PDB record found on line 5812 END Chain information for mcr-1_hid_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb #1 --- Chain | Description ? | No description available > open > E:/Project_MCR/data/MS_mcr-1_mcr-3/Result/Volume_depht/mcr-1_hip_cluster/mcr-1_hip_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb Chain information for mcr-1_hip_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb #2 --- Chain | Description ? | No description available > open > E:/Project_MCR/data/MS_mcr-1_mcr-3/Result/Volume_depht/mcr-3_hid_cluster/mcr-3_hid_123rep_60snap_cluster_TopN_pockets_combine_test.pdb Chain information for mcr-3_hid_123rep_60snap_cluster_TopN_pockets_combine_test.pdb #3 --- Chain | Description ? | No description available > open > E:/Project_MCR/data/MS_mcr-1_mcr-3/Result/Volume_depht/mcr-3_hip_cluster/mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb Chain information for mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb #4 --- Chain | Description ? | No description available > matchmaker #2 #3 #4 to #1.1 No 'to' model specified > matchmaker #2 #3 #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 mcr-1_hid_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb, chain (blank) (#1) with mcr-1_hip_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb, chain (blank) (#2), sequence alignment score = 1576.8 RMSD between 309 pruned atom pairs is 0.783 angstroms; (across all 323 pairs: 0.993) Matchmaker mcr-1_hid_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb, chain (blank) (#1) with mcr-3_hid_123rep_60snap_cluster_TopN_pockets_combine_test.pdb, chain (blank) (#3), sequence alignment score = 750.7 RMSD between 206 pruned atom pairs is 1.103 angstroms; (across all 307 pairs: 3.267) Matchmaker mcr-1_hid_123rep_60snapt_cluster_TopN_pockets_combine_test.pdb, chain (blank) (#1) with mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4), sequence alignment score = 739.3 RMSD between 205 pruned atom pairs is 1.132 angstroms; (across all 307 pairs: 2.899) > select protein 20120 atoms, 20350 bonds, 1308 residues, 4 models selected > show sel surfaces > select #1.1 4955 atoms, 323 residues, 1 model selected > hide #!2 models > hide #!3 models > hide #!4 models > show sel surfaces > show sel surfaces > select #1/C 96 atoms, 96 residues, 1 model selected > show sel surfaces > hide #!1 models > show #!1 models > hide #!1 models > show #!2 models > hide #2.1 models > select #2/A 128 atoms, 128 residues, 1 model selected > show sel surfaces > show #2.1 models > show #!3 models > hide #!2 models > hide #1.1 models > hide #1.2 models > hide #2.1 models > hide #2.2 models > select #3/A 179 atoms, 179 residues, 1 model selected > select #3/A #3/D 261 atoms, 261 residues, 1 model selected > show sel surfaces > select clear > show #!4 models > hide #!3 models > select #4/A 249 atoms, 249 residues, 1 model selected > show sel surfaces > show #!3 models > hide #!4 models > show #!2 models > hide #!3 models > show #!2 surfaces > save E:/Project_MCR/data/MS_mcr-1_mcr-3/Result/Volume_depht/mcr-1-3.cxs ——— End of log from Thu Apr 21 17:07:05 2022 ——— opened ChimeraX session > open > E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\\*ST3c.pdb Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d10_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d11_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d12_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d13_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d14_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d15_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d16_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d17_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d18_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d19_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d1_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d20_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d2_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d3_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d4_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d5_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d6_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d7_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d8_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\1\mcr-1_B1hid\Bfact_d9_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3117 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Chain information for Bfact_d10_ST3c.pdb #5 --- Chain | Description ? | No description available Chain information for Bfact_d11_ST3c.pdb #6 --- Chain | Description ? | No description available Chain information for Bfact_d12_ST3c.pdb #7 --- Chain | Description ? | No description available Chain information for Bfact_d13_ST3c.pdb #8 --- Chain | Description ? | No description available Chain information for Bfact_d14_ST3c.pdb #9 --- Chain | Description ? | No description available Chain information for Bfact_d15_ST3c.pdb #10 --- Chain | Description ? | No description available Chain information for Bfact_d16_ST3c.pdb #11 --- Chain | Description ? | No description available Chain information for Bfact_d17_ST3c.pdb #12 --- Chain | Description ? | No description available Chain information for Bfact_d18_ST3c.pdb #13 --- Chain | Description ? | No description available Chain information for Bfact_d19_ST3c.pdb #14 --- Chain | Description ? | No description available Chain information for Bfact_d1_ST3c.pdb #15 --- Chain | Description ? | No description available Chain information for Bfact_d20_ST3c.pdb #16 --- Chain | Description ? | No description available Chain information for Bfact_d2_ST3c.pdb #17 --- Chain | Description ? | No description available Chain information for Bfact_d3_ST3c.pdb #18 --- Chain | Description ? | No description available Chain information for Bfact_d4_ST3c.pdb #19 --- Chain | Description ? | No description available Chain information for Bfact_d5_ST3c.pdb #20 --- Chain | Description ? | No description available Chain information for Bfact_d6_ST3c.pdb #21 --- Chain | Description ? | No description available Chain information for Bfact_d7_ST3c.pdb #22 --- Chain | Description ? | No description available Chain information for Bfact_d8_ST3c.pdb #23 --- Chain | Description ? | No description available Chain information for Bfact_d9_ST3c.pdb #24 --- Chain | Description ? | No description available > open > E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\\*ST3c.pdb Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d10_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d11_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d12_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d13_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d14_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d15_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d16_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d17_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d18_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d19_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d1_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d20_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d2_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d3_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d4_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d5_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d6_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d7_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 Summary of feedback from opening E:\Project_MCR\mcr-1\Autodock_docking\new_Result\new_mcr-1_hid\2\mcr-1_B2hid\Bfact_d8_ST3c.pdb --- warnings | Duplicate atom serial number found: 1 Duplicate atom serial number found: 2 Duplicate atom serial number found: 3 Duplicate atom serial number found: 4 Duplicate atom serial number found: 5 22 messages similar to the above omitted Ignored bad PDB record found on line 3116 TER 28 UNK A 1 0 0.000 0.000 0.000 0.00 0.00 [deleted to fit within ticket limits] Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d19_ST3f.pdb, chain (blank) (#1054), sequence alignment score = 1619.2 RMSD between 294 pruned atom pairs is 0.980 angstroms; (across all 331 pairs: 1.528) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d1_ST3f.pdb, chain (blank) (#1055), sequence alignment score = 1668.4 RMSD between 271 pruned atom pairs is 0.974 angstroms; (across all 331 pairs: 1.890) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d20_ST3f.pdb, chain (blank) (#1056), sequence alignment score = 1609.6 RMSD between 287 pruned atom pairs is 0.961 angstroms; (across all 331 pairs: 1.531) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d2_ST3f.pdb, chain (blank) (#1057), sequence alignment score = 1649.2 RMSD between 286 pruned atom pairs is 0.924 angstroms; (across all 331 pairs: 1.667) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d3_ST3f.pdb, chain (blank) (#1058), sequence alignment score = 1664.8 RMSD between 278 pruned atom pairs is 0.988 angstroms; (across all 331 pairs: 1.625) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d4_ST3f.pdb, chain (blank) (#1059), sequence alignment score = 1609.6 RMSD between 282 pruned atom pairs is 0.901 angstroms; (across all 331 pairs: 1.665) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d5_ST3f.pdb, chain (blank) (#1060), sequence alignment score = 1625.2 RMSD between 290 pruned atom pairs is 0.914 angstroms; (across all 331 pairs: 1.651) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d6_ST3f.pdb, chain (blank) (#1061), sequence alignment score = 1700.2 RMSD between 288 pruned atom pairs is 0.961 angstroms; (across all 331 pairs: 1.486) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d7_ST3f.pdb, chain (blank) (#1062), sequence alignment score = 1619.2 RMSD between 283 pruned atom pairs is 0.969 angstroms; (across all 331 pairs: 1.547) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d8_ST3f.pdb, chain (blank) (#1063), sequence alignment score = 1619.2 RMSD between 293 pruned atom pairs is 0.923 angstroms; (across all 331 pairs: 1.452) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d9_ST3f.pdb, chain (blank) (#1064), sequence alignment score = 1601.2 RMSD between 279 pruned atom pairs is 0.969 angstroms; (across all 331 pairs: 1.652) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d10_ST3f.pdb, chain (blank) (#1065), sequence alignment score = 1676.8 RMSD between 325 pruned atom pairs is 0.718 angstroms; (across all 331 pairs: 0.832) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d11_ST3f.pdb, chain (blank) (#1066), sequence alignment score = 1602.4 RMSD between 323 pruned atom pairs is 0.760 angstroms; (across all 331 pairs: 0.867) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d12_ST3f.pdb, chain (blank) (#1067), sequence alignment score = 1682.2 RMSD between 319 pruned atom pairs is 0.784 angstroms; (across all 331 pairs: 0.961) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d13_ST3f.pdb, chain (blank) (#1068), sequence alignment score = 1649.8 RMSD between 323 pruned atom pairs is 0.762 angstroms; (across all 331 pairs: 0.863) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d14_ST3f.pdb, chain (blank) (#1069), sequence alignment score = 1633 RMSD between 323 pruned atom pairs is 0.826 angstroms; (across all 331 pairs: 1.059) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d15_ST3f.pdb, chain (blank) (#1070), sequence alignment score = 1742.8 RMSD between 331 pruned atom pairs is 0.000 angstroms; (across all 331 pairs: 0.000) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d16_ST3f.pdb, chain (blank) (#1071), sequence alignment score = 1651.6 RMSD between 320 pruned atom pairs is 0.820 angstroms; (across all 331 pairs: 1.275) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d17_ST3f.pdb, chain (blank) (#1072), sequence alignment score = 1589.2 RMSD between 321 pruned atom pairs is 0.726 angstroms; (across all 331 pairs: 0.911) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d18_ST3f.pdb, chain (blank) (#1073), sequence alignment score = 1666.6 RMSD between 320 pruned atom pairs is 0.725 angstroms; (across all 331 pairs: 0.925) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d19_ST3f.pdb, chain (blank) (#1074), sequence alignment score = 1639.6 RMSD between 323 pruned atom pairs is 0.786 angstroms; (across all 331 pairs: 0.870) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d1_ST3f.pdb, chain (blank) (#1075), sequence alignment score = 1672 RMSD between 307 pruned atom pairs is 1.011 angstroms; (across all 331 pairs: 1.285) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d20_ST3f.pdb, chain (blank) (#1076), sequence alignment score = 1638.4 RMSD between 318 pruned atom pairs is 0.807 angstroms; (across all 331 pairs: 1.030) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d2_ST3f.pdb, chain (blank) (#1077), sequence alignment score = 1623.4 RMSD between 310 pruned atom pairs is 0.959 angstroms; (across all 331 pairs: 1.114) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d3_ST3f.pdb, chain (blank) (#1078), sequence alignment score = 1688.8 RMSD between 316 pruned atom pairs is 0.973 angstroms; (across all 331 pairs: 1.118) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d4_ST3f.pdb, chain (blank) (#1079), sequence alignment score = 1616.8 RMSD between 309 pruned atom pairs is 0.918 angstroms; (across all 331 pairs: 1.078) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d5_ST3f.pdb, chain (blank) (#1080), sequence alignment score = 1662.4 RMSD between 311 pruned atom pairs is 0.948 angstroms; (across all 331 pairs: 1.136) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d6_ST3f.pdb, chain (blank) (#1081), sequence alignment score = 1663 RMSD between 317 pruned atom pairs is 0.860 angstroms; (across all 331 pairs: 1.038) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d7_ST3f.pdb, chain (blank) (#1082), sequence alignment score = 1633.6 RMSD between 321 pruned atom pairs is 0.875 angstroms; (across all 331 pairs: 0.990) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d8_ST3f.pdb, chain (blank) (#1083), sequence alignment score = 1651.6 RMSD between 322 pruned atom pairs is 0.814 angstroms; (across all 331 pairs: 0.905) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d9_ST3f.pdb, chain (blank) (#1084), sequence alignment score = 1691.8 RMSD between 323 pruned atom pairs is 0.752 angstroms; (across all 331 pairs: 0.867) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d10_ST3b.pdb, chain (blank) (#1085), sequence alignment score = 1630.6 RMSD between 273 pruned atom pairs is 0.821 angstroms; (across all 331 pairs: 1.584) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d11_ST3b.pdb, chain (blank) (#1086), sequence alignment score = 1582.6 RMSD between 284 pruned atom pairs is 0.876 angstroms; (across all 331 pairs: 1.753) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d12_ST3b.pdb, chain (blank) (#1087), sequence alignment score = 1636 RMSD between 291 pruned atom pairs is 0.866 angstroms; (across all 331 pairs: 1.786) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d13_ST3b.pdb, chain (blank) (#1088), sequence alignment score = 1622.2 RMSD between 276 pruned atom pairs is 0.989 angstroms; (across all 331 pairs: 1.783) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d14_ST3b.pdb, chain (blank) (#1089), sequence alignment score = 1626.4 RMSD between 295 pruned atom pairs is 0.807 angstroms; (across all 331 pairs: 1.450) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d15_ST3b.pdb, chain (blank) (#1090), sequence alignment score = 1658.2 RMSD between 285 pruned atom pairs is 0.876 angstroms; (across all 331 pairs: 1.630) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d16_ST3b.pdb, chain (blank) (#1091), sequence alignment score = 1652.8 RMSD between 302 pruned atom pairs is 0.866 angstroms; (across all 331 pairs: 1.430) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d17_ST3b.pdb, chain (blank) (#1092), sequence alignment score = 1630.6 RMSD between 296 pruned atom pairs is 0.826 angstroms; (across all 331 pairs: 1.607) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d18_ST3b.pdb, chain (blank) (#1093), sequence alignment score = 1637.8 RMSD between 299 pruned atom pairs is 0.816 angstroms; (across all 331 pairs: 1.496) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d19_ST3b.pdb, chain (blank) (#1094), sequence alignment score = 1601.8 RMSD between 292 pruned atom pairs is 0.799 angstroms; (across all 331 pairs: 1.624) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d1_ST3b.pdb, chain (blank) (#1095), sequence alignment score = 1609 RMSD between 291 pruned atom pairs is 0.941 angstroms; (across all 331 pairs: 1.616) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d20_ST3b.pdb, chain (blank) (#1096), sequence alignment score = 1627 RMSD between 277 pruned atom pairs is 0.941 angstroms; (across all 331 pairs: 1.747) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d2_ST3b.pdb, chain (blank) (#1097), sequence alignment score = 1613.8 RMSD between 294 pruned atom pairs is 0.929 angstroms; (across all 331 pairs: 1.653) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d3_ST3b.pdb, chain (blank) (#1098), sequence alignment score = 1580.2 RMSD between 290 pruned atom pairs is 0.906 angstroms; (across all 331 pairs: 1.650) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d4_ST3b.pdb, chain (blank) (#1099), sequence alignment score = 1632.4 RMSD between 287 pruned atom pairs is 0.937 angstroms; (across all 331 pairs: 1.644) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d5_ST3b.pdb, chain (blank) (#1100), sequence alignment score = 1630.6 RMSD between 298 pruned atom pairs is 0.795 angstroms; (across all 331 pairs: 1.488) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d6_ST3b.pdb, chain (blank) (#1101), sequence alignment score = 1650.4 RMSD between 312 pruned atom pairs is 0.883 angstroms; (across all 331 pairs: 1.359) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d7_ST3b.pdb, chain (blank) (#1102), sequence alignment score = 1645.6 RMSD between 282 pruned atom pairs is 0.893 angstroms; (across all 331 pairs: 1.604) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d8_ST3b.pdb, chain (blank) (#1103), sequence alignment score = 1603 RMSD between 289 pruned atom pairs is 0.917 angstroms; (across all 331 pairs: 1.626) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d9_ST3b.pdb, chain (blank) (#1104), sequence alignment score = 1622.8 RMSD between 282 pruned atom pairs is 0.881 angstroms; (across all 331 pairs: 1.753) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d10_ST3b.pdb, chain (blank) (#1105), sequence alignment score = 1655.2 RMSD between 284 pruned atom pairs is 0.944 angstroms; (across all 331 pairs: 1.619) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d11_ST3b.pdb, chain (blank) (#1106), sequence alignment score = 1640.2 RMSD between 282 pruned atom pairs is 0.917 angstroms; (across all 331 pairs: 1.574) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d12_ST3b.pdb, chain (blank) (#1107), sequence alignment score = 1627 RMSD between 289 pruned atom pairs is 0.875 angstroms; (across all 331 pairs: 1.580) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d13_ST3b.pdb, chain (blank) (#1108), sequence alignment score = 1627.6 RMSD between 266 pruned atom pairs is 0.926 angstroms; (across all 331 pairs: 1.682) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d14_ST3b.pdb, chain (blank) (#1109), sequence alignment score = 1629.4 RMSD between 297 pruned atom pairs is 0.904 angstroms; (across all 331 pairs: 1.405) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d15_ST3b.pdb, chain (blank) (#1110), sequence alignment score = 1640.8 RMSD between 287 pruned atom pairs is 0.925 angstroms; (across all 331 pairs: 1.546) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d16_ST3b.pdb, chain (blank) (#1111), sequence alignment score = 1620.4 RMSD between 266 pruned atom pairs is 0.972 angstroms; (across all 331 pairs: 1.748) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d17_ST3b.pdb, chain (blank) (#1112), sequence alignment score = 1648 RMSD between 284 pruned atom pairs is 1.000 angstroms; (across all 331 pairs: 1.580) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d18_ST3b.pdb, chain (blank) (#1113), sequence alignment score = 1671.4 RMSD between 285 pruned atom pairs is 0.881 angstroms; (across all 331 pairs: 1.512) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d19_ST3b.pdb, chain (blank) (#1114), sequence alignment score = 1619.2 RMSD between 294 pruned atom pairs is 0.980 angstroms; (across all 331 pairs: 1.528) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d1_ST3b.pdb, chain (blank) (#1115), sequence alignment score = 1668.4 RMSD between 271 pruned atom pairs is 0.974 angstroms; (across all 331 pairs: 1.890) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d20_ST3b.pdb, chain (blank) (#1116), sequence alignment score = 1609.6 RMSD between 287 pruned atom pairs is 0.961 angstroms; (across all 331 pairs: 1.531) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d2_ST3b.pdb, chain (blank) (#1117), sequence alignment score = 1649.2 RMSD between 286 pruned atom pairs is 0.924 angstroms; (across all 331 pairs: 1.667) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d3_ST3b.pdb, chain (blank) (#1118), sequence alignment score = 1664.8 RMSD between 278 pruned atom pairs is 0.988 angstroms; (across all 331 pairs: 1.625) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d4_ST3b.pdb, chain (blank) (#1119), sequence alignment score = 1609.6 RMSD between 282 pruned atom pairs is 0.901 angstroms; (across all 331 pairs: 1.665) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d5_ST3b.pdb, chain (blank) (#1120), sequence alignment score = 1625.2 RMSD between 290 pruned atom pairs is 0.914 angstroms; (across all 331 pairs: 1.651) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d6_ST3b.pdb, chain (blank) (#1121), sequence alignment score = 1700.2 RMSD between 288 pruned atom pairs is 0.961 angstroms; (across all 331 pairs: 1.486) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d7_ST3b.pdb, chain (blank) (#1122), sequence alignment score = 1619.2 RMSD between 283 pruned atom pairs is 0.969 angstroms; (across all 331 pairs: 1.547) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d8_ST3b.pdb, chain (blank) (#1123), sequence alignment score = 1619.2 RMSD between 293 pruned atom pairs is 0.923 angstroms; (across all 331 pairs: 1.452) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d9_ST3b.pdb, chain (blank) (#1124), sequence alignment score = 1601.2 RMSD between 279 pruned atom pairs is 0.969 angstroms; (across all 331 pairs: 1.652) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d10_ST3b.pdb, chain (blank) (#1125), sequence alignment score = 1676.8 RMSD between 325 pruned atom pairs is 0.718 angstroms; (across all 331 pairs: 0.832) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d11_ST3b.pdb, chain (blank) (#1126), sequence alignment score = 1602.4 RMSD between 323 pruned atom pairs is 0.760 angstroms; (across all 331 pairs: 0.867) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d12_ST3b.pdb, chain (blank) (#1127), sequence alignment score = 1682.2 RMSD between 319 pruned atom pairs is 0.784 angstroms; (across all 331 pairs: 0.961) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d13_ST3b.pdb, chain (blank) (#1128), sequence alignment score = 1649.8 RMSD between 323 pruned atom pairs is 0.762 angstroms; (across all 331 pairs: 0.863) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d14_ST3b.pdb, chain (blank) (#1129), sequence alignment score = 1633 RMSD between 323 pruned atom pairs is 0.826 angstroms; (across all 331 pairs: 1.059) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d15_ST3b.pdb, chain (blank) (#1130), sequence alignment score = 1742.8 RMSD between 331 pruned atom pairs is 0.000 angstroms; (across all 331 pairs: 0.000) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d16_ST3b.pdb, chain (blank) (#1131), sequence alignment score = 1651.6 RMSD between 320 pruned atom pairs is 0.820 angstroms; (across all 331 pairs: 1.275) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d17_ST3b.pdb, chain (blank) (#1132), sequence alignment score = 1589.2 RMSD between 321 pruned atom pairs is 0.726 angstroms; (across all 331 pairs: 0.911) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d18_ST3b.pdb, chain (blank) (#1133), sequence alignment score = 1666.6 RMSD between 320 pruned atom pairs is 0.725 angstroms; (across all 331 pairs: 0.925) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d19_ST3b.pdb, chain (blank) (#1134), sequence alignment score = 1639.6 RMSD between 323 pruned atom pairs is 0.786 angstroms; (across all 331 pairs: 0.870) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d1_ST3b.pdb, chain (blank) (#1135), sequence alignment score = 1672 RMSD between 307 pruned atom pairs is 1.011 angstroms; (across all 331 pairs: 1.285) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d20_ST3b.pdb, chain (blank) (#1136), sequence alignment score = 1638.4 RMSD between 318 pruned atom pairs is 0.807 angstroms; (across all 331 pairs: 1.030) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d2_ST3b.pdb, chain (blank) (#1137), sequence alignment score = 1623.4 RMSD between 310 pruned atom pairs is 0.959 angstroms; (across all 331 pairs: 1.114) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d3_ST3b.pdb, chain (blank) (#1138), sequence alignment score = 1688.8 RMSD between 316 pruned atom pairs is 0.973 angstroms; (across all 331 pairs: 1.118) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d4_ST3b.pdb, chain (blank) (#1139), sequence alignment score = 1616.8 RMSD between 309 pruned atom pairs is 0.918 angstroms; (across all 331 pairs: 1.078) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d5_ST3b.pdb, chain (blank) (#1140), sequence alignment score = 1662.4 RMSD between 311 pruned atom pairs is 0.948 angstroms; (across all 331 pairs: 1.136) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d6_ST3b.pdb, chain (blank) (#1141), sequence alignment score = 1663 RMSD between 317 pruned atom pairs is 0.860 angstroms; (across all 331 pairs: 1.038) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d7_ST3b.pdb, chain (blank) (#1142), sequence alignment score = 1633.6 RMSD between 321 pruned atom pairs is 0.875 angstroms; (across all 331 pairs: 0.990) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d8_ST3b.pdb, chain (blank) (#1143), sequence alignment score = 1651.6 RMSD between 322 pruned atom pairs is 0.814 angstroms; (across all 331 pairs: 0.905) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d9_ST3b.pdb, chain (blank) (#1144), sequence alignment score = 1691.8 RMSD between 323 pruned atom pairs is 0.752 angstroms; (across all 331 pairs: 0.867) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d10_ST4g.pdb, chain (blank) (#1145), sequence alignment score = 1630.6 RMSD between 273 pruned atom pairs is 0.821 angstroms; (across all 331 pairs: 1.584) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d11_ST4g.pdb, chain (blank) (#1146), sequence alignment score = 1582.6 RMSD between 284 pruned atom pairs is 0.876 angstroms; (across all 331 pairs: 1.753) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d12_ST4g.pdb, chain (blank) (#1147), sequence alignment score = 1636 RMSD between 291 pruned atom pairs is 0.866 angstroms; (across all 331 pairs: 1.786) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d13_ST4g.pdb, chain (blank) (#1148), sequence alignment score = 1622.2 RMSD between 276 pruned atom pairs is 0.989 angstroms; (across all 331 pairs: 1.783) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d14_ST4g.pdb, chain (blank) (#1149), sequence alignment score = 1626.4 RMSD between 295 pruned atom pairs is 0.807 angstroms; (across all 331 pairs: 1.450) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d15_ST4g.pdb, chain (blank) (#1150), sequence alignment score = 1658.2 RMSD between 285 pruned atom pairs is 0.876 angstroms; (across all 331 pairs: 1.630) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d16_ST4g.pdb, chain (blank) (#1151), sequence alignment score = 1652.8 RMSD between 302 pruned atom pairs is 0.866 angstroms; (across all 331 pairs: 1.430) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d17_ST4g.pdb, chain (blank) (#1152), sequence alignment score = 1630.6 RMSD between 296 pruned atom pairs is 0.826 angstroms; (across all 331 pairs: 1.607) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d18_ST4g.pdb, chain (blank) (#1153), sequence alignment score = 1637.8 RMSD between 299 pruned atom pairs is 0.816 angstroms; (across all 331 pairs: 1.496) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d19_ST4g.pdb, chain (blank) (#1154), sequence alignment score = 1601.8 RMSD between 292 pruned atom pairs is 0.799 angstroms; (across all 331 pairs: 1.624) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d1_ST4g.pdb, chain (blank) (#1155), sequence alignment score = 1609 RMSD between 291 pruned atom pairs is 0.941 angstroms; (across all 331 pairs: 1.616) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d20_ST4g.pdb, chain (blank) (#1156), sequence alignment score = 1627 RMSD between 277 pruned atom pairs is 0.941 angstroms; (across all 331 pairs: 1.747) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d2_ST4g.pdb, chain (blank) (#1157), sequence alignment score = 1613.8 RMSD between 294 pruned atom pairs is 0.929 angstroms; (across all 331 pairs: 1.653) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d3_ST4g.pdb, chain (blank) (#1158), sequence alignment score = 1580.2 RMSD between 290 pruned atom pairs is 0.906 angstroms; (across all 331 pairs: 1.650) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d4_ST4g.pdb, chain (blank) (#1159), sequence alignment score = 1632.4 RMSD between 287 pruned atom pairs is 0.937 angstroms; (across all 331 pairs: 1.644) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d5_ST4g.pdb, chain (blank) (#1160), sequence alignment score = 1630.6 RMSD between 298 pruned atom pairs is 0.795 angstroms; (across all 331 pairs: 1.488) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d6_ST4g.pdb, chain (blank) (#1161), sequence alignment score = 1650.4 RMSD between 312 pruned atom pairs is 0.883 angstroms; (across all 331 pairs: 1.359) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d7_ST4g.pdb, chain (blank) (#1162), sequence alignment score = 1645.6 RMSD between 282 pruned atom pairs is 0.893 angstroms; (across all 331 pairs: 1.604) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d8_ST4g.pdb, chain (blank) (#1163), sequence alignment score = 1603 RMSD between 289 pruned atom pairs is 0.917 angstroms; (across all 331 pairs: 1.626) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d9_ST4g.pdb, chain (blank) (#1164), sequence alignment score = 1622.8 RMSD between 282 pruned atom pairs is 0.881 angstroms; (across all 331 pairs: 1.753) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d10_ST4g.pdb, chain (blank) (#1165), sequence alignment score = 1655.2 RMSD between 284 pruned atom pairs is 0.944 angstroms; (across all 331 pairs: 1.619) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d11_ST4g.pdb, chain (blank) (#1166), sequence alignment score = 1640.2 RMSD between 282 pruned atom pairs is 0.917 angstroms; (across all 331 pairs: 1.574) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d12_ST4g.pdb, chain (blank) (#1167), sequence alignment score = 1627 RMSD between 289 pruned atom pairs is 0.875 angstroms; (across all 331 pairs: 1.580) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d13_ST4g.pdb, chain (blank) (#1168), sequence alignment score = 1627.6 RMSD between 266 pruned atom pairs is 0.926 angstroms; (across all 331 pairs: 1.682) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d14_ST4g.pdb, chain (blank) (#1169), sequence alignment score = 1629.4 RMSD between 297 pruned atom pairs is 0.904 angstroms; (across all 331 pairs: 1.405) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d15_ST4g.pdb, chain (blank) (#1170), sequence alignment score = 1640.8 RMSD between 287 pruned atom pairs is 0.925 angstroms; (across all 331 pairs: 1.546) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d16_ST4g.pdb, chain (blank) (#1171), sequence alignment score = 1620.4 RMSD between 266 pruned atom pairs is 0.972 angstroms; (across all 331 pairs: 1.748) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d17_ST4g.pdb, chain (blank) (#1172), sequence alignment score = 1648 RMSD between 284 pruned atom pairs is 1.000 angstroms; (across all 331 pairs: 1.580) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d18_ST4g.pdb, chain (blank) (#1173), sequence alignment score = 1671.4 RMSD between 285 pruned atom pairs is 0.881 angstroms; (across all 331 pairs: 1.512) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d19_ST4g.pdb, chain (blank) (#1174), sequence alignment score = 1619.2 RMSD between 294 pruned atom pairs is 0.980 angstroms; (across all 331 pairs: 1.528) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d1_ST4g.pdb, chain (blank) (#1175), sequence alignment score = 1668.4 RMSD between 271 pruned atom pairs is 0.974 angstroms; (across all 331 pairs: 1.890) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d20_ST4g.pdb, chain (blank) (#1176), sequence alignment score = 1609.6 RMSD between 287 pruned atom pairs is 0.961 angstroms; (across all 331 pairs: 1.531) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d2_ST4g.pdb, chain (blank) (#1177), sequence alignment score = 1649.2 RMSD between 286 pruned atom pairs is 0.924 angstroms; (across all 331 pairs: 1.667) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d3_ST4g.pdb, chain (blank) (#1178), sequence alignment score = 1664.8 RMSD between 278 pruned atom pairs is 0.988 angstroms; (across all 331 pairs: 1.625) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d4_ST4g.pdb, chain (blank) (#1179), sequence alignment score = 1609.6 RMSD between 282 pruned atom pairs is 0.901 angstroms; (across all 331 pairs: 1.665) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d5_ST4g.pdb, chain (blank) (#1180), sequence alignment score = 1625.2 RMSD between 290 pruned atom pairs is 0.914 angstroms; (across all 331 pairs: 1.651) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d6_ST4g.pdb, chain (blank) (#1181), sequence alignment score = 1700.2 RMSD between 288 pruned atom pairs is 0.961 angstroms; (across all 331 pairs: 1.486) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d7_ST4g.pdb, chain (blank) (#1182), sequence alignment score = 1619.2 RMSD between 283 pruned atom pairs is 0.969 angstroms; (across all 331 pairs: 1.547) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d8_ST4g.pdb, chain (blank) (#1183), sequence alignment score = 1619.2 RMSD between 293 pruned atom pairs is 0.923 angstroms; (across all 331 pairs: 1.452) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d9_ST4g.pdb, chain (blank) (#1184), sequence alignment score = 1601.2 RMSD between 279 pruned atom pairs is 0.969 angstroms; (across all 331 pairs: 1.652) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d10_ST4g.pdb, chain (blank) (#1185), sequence alignment score = 1676.8 RMSD between 325 pruned atom pairs is 0.718 angstroms; (across all 331 pairs: 0.832) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d11_ST4g.pdb, chain (blank) (#1186), sequence alignment score = 1602.4 RMSD between 323 pruned atom pairs is 0.760 angstroms; (across all 331 pairs: 0.867) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d12_ST4g.pdb, chain (blank) (#1187), sequence alignment score = 1682.2 RMSD between 319 pruned atom pairs is 0.784 angstroms; (across all 331 pairs: 0.961) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d13_ST4g.pdb, chain (blank) (#1188), sequence alignment score = 1649.8 RMSD between 323 pruned atom pairs is 0.762 angstroms; (across all 331 pairs: 0.863) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d14_ST4g.pdb, chain (blank) (#1189), sequence alignment score = 1633 RMSD between 323 pruned atom pairs is 0.826 angstroms; (across all 331 pairs: 1.059) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d15_ST4g.pdb, chain (blank) (#1190), sequence alignment score = 1742.8 RMSD between 331 pruned atom pairs is 0.000 angstroms; (across all 331 pairs: 0.000) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d16_ST4g.pdb, chain (blank) (#1191), sequence alignment score = 1651.6 RMSD between 320 pruned atom pairs is 0.820 angstroms; (across all 331 pairs: 1.275) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d17_ST4g.pdb, chain (blank) (#1192), sequence alignment score = 1589.2 RMSD between 321 pruned atom pairs is 0.726 angstroms; (across all 331 pairs: 0.911) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d18_ST4g.pdb, chain (blank) (#1193), sequence alignment score = 1666.6 RMSD between 320 pruned atom pairs is 0.725 angstroms; (across all 331 pairs: 0.925) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d19_ST4g.pdb, chain (blank) (#1194), sequence alignment score = 1639.6 RMSD between 323 pruned atom pairs is 0.786 angstroms; (across all 331 pairs: 0.870) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d1_ST4g.pdb, chain (blank) (#1195), sequence alignment score = 1672 RMSD between 307 pruned atom pairs is 1.011 angstroms; (across all 331 pairs: 1.285) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d20_ST4g.pdb, chain (blank) (#1196), sequence alignment score = 1638.4 RMSD between 318 pruned atom pairs is 0.807 angstroms; (across all 331 pairs: 1.030) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d2_ST4g.pdb, chain (blank) (#1197), sequence alignment score = 1623.4 RMSD between 310 pruned atom pairs is 0.959 angstroms; (across all 331 pairs: 1.114) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d3_ST4g.pdb, chain (blank) (#1198), sequence alignment score = 1688.8 RMSD between 316 pruned atom pairs is 0.973 angstroms; (across all 331 pairs: 1.118) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d4_ST4g.pdb, chain (blank) (#1199), sequence alignment score = 1616.8 RMSD between 309 pruned atom pairs is 0.918 angstroms; (across all 331 pairs: 1.078) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d5_ST4g.pdb, chain (blank) (#1200), sequence alignment score = 1662.4 RMSD between 311 pruned atom pairs is 0.948 angstroms; (across all 331 pairs: 1.136) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d6_ST4g.pdb, chain (blank) (#1201), sequence alignment score = 1663 RMSD between 317 pruned atom pairs is 0.860 angstroms; (across all 331 pairs: 1.038) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d7_ST4g.pdb, chain (blank) (#1202), sequence alignment score = 1633.6 RMSD between 321 pruned atom pairs is 0.875 angstroms; (across all 331 pairs: 0.990) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d8_ST4g.pdb, chain (blank) (#1203), sequence alignment score = 1651.6 RMSD between 322 pruned atom pairs is 0.814 angstroms; (across all 331 pairs: 0.905) Matchmaker mcr-3_hip_123rep_60snap_cluster_TopN_pockets_cluster_test.pdb, chain (blank) (#4) with Bfact_d9_ST4g.pdb, chain (blank) (#1204), sequence alignment score = 1691.8 RMSD between 323 pruned atom pairs is 0.752 angstroms; (across all 331 pairs: 0.867) > save > E:/Project_MCR/data/MS_mcr-1_mcr-3/Result/docking_volume/mcr-1-3_123rep_ST3c_ST3f_ST3e_ST3b_ST4g.cxs > select :325@Zn 602 atoms, 602 residues, 602 models selected > hide sel & #5-604#!2 atoms > select :333@Zn 602 atoms, 602 residues, 602 models selected > hide sel & #605-1204 atoms > select protein 3786320 atoms, 3855550 bonds, 393708 residues, 1204 models selected > select :UNK 33120 atoms, 36480 bonds, 1200 residues, 1200 models selected > hide sel atoms > select protein 3786320 atoms, 3855550 bonds, 393708 residues, 1204 models selected OpenGL version: 3.3.0 NVIDIA 466.60 OpenGL renderer: NVIDIA GeForce RTX 3050 Laptop GPU/PCIe/SSE2 OpenGL vendor: NVIDIA Corporation Manufacturer: ASUSTeK COMPUTER INC. Model: Vivobook_ASUSLaptop X3500PC_K3500PC OS: Microsoft Windows 10 Home Single Language (Build 19044) Memory: 16,856,219,648 MaxProcessMemory: 137,438,953,344 CPU: 8 11th Gen Intel(R) Core(TM) i7-11370H @ 3.30GHz OSLanguage: en-US Locale: ('th_TH', 'cp1252') PyQt5 5.15.2, Qt 5.15.2 Installed Packages: alabaster: 0.7.12 appdirs: 1.4.4 Babel: 2.9.1 backcall: 0.2.0 blockdiag: 2.0.1 certifi: 2020.12.5 cftime: 1.5.0 chardet: 3.0.4 ChimeraX-AddCharge: 1.0.1 ChimeraX-AddH: 2.1.6 ChimeraX-AlignmentAlgorithms: 2.0 ChimeraX-AlignmentHdrs: 3.2 ChimeraX-AlignmentMatrices: 2.0 ChimeraX-Alignments: 2.1 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.0 ChimeraX-Atomic: 1.13.2 ChimeraX-AtomicLibrary: 3.1.3 ChimeraX-AtomSearch: 2.0 ChimeraX-AtomSearchLibrary: 1.0 ChimeraX-AxesPlanes: 2.0 ChimeraX-BasicActions: 1.1 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 1.1 ChimeraX-BondRot: 2.0 ChimeraX-BugReporter: 1.0 ChimeraX-BuildStructure: 2.5.2 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.1 ChimeraX-ButtonPanel: 1.0 ChimeraX-CageBuilder: 1.0 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.1 ChimeraX-ChemGroup: 2.0 ChimeraX-Clashes: 2.1 ChimeraX-ColorActions: 1.0 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.2.1 ChimeraX-CommandLine: 1.1.4 ChimeraX-ConnectStructure: 2.0 ChimeraX-Contacts: 1.0 ChimeraX-Core: 1.2.5 ChimeraX-CoreFormats: 1.0 ChimeraX-coulombic: 1.1.1 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0 ChimeraX-DataFormats: 1.1 ChimeraX-Dicom: 1.0 ChimeraX-DistMonitor: 1.1.3 ChimeraX-DistUI: 1.0 ChimeraX-Dssp: 2.0 ChimeraX-EMDB-SFF: 1.0 ChimeraX-ExperimentalCommands: 1.0 ChimeraX-FileHistory: 1.0 ChimeraX-FunctionKey: 1.0 ChimeraX-Geometry: 1.1 ChimeraX-gltf: 1.0 ChimeraX-Graphics: 1.0 ChimeraX-Hbonds: 2.1 ChimeraX-Help: 1.1 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.0 ChimeraX-ImageFormats: 1.1 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.1 ChimeraX-Label: 1.0 ChimeraX-ListInfo: 1.1.1 ChimeraX-Log: 1.1.2 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.8.1 ChimeraX-Map: 1.0.2 ChimeraX-MapData: 2.0 ChimeraX-MapEraser: 1.0 ChimeraX-MapFilter: 2.0 ChimeraX-MapFit: 2.0 ChimeraX-MapSeries: 2.0 ChimeraX-Markers: 1.0 ChimeraX-Mask: 1.0 ChimeraX-MatchMaker: 1.2.1 ChimeraX-MDcrds: 2.2 ChimeraX-MedicalToolbar: 1.0.1 ChimeraX-Meeting: 1.0 ChimeraX-MLP: 1.1 ChimeraX-mmCIF: 2.3 ChimeraX-MMTF: 2.1 ChimeraX-Modeller: 1.0.1 ChimeraX-ModelPanel: 1.0.1 ChimeraX-ModelSeries: 1.0 ChimeraX-Mol2: 2.0 ChimeraX-Morph: 1.0 ChimeraX-MouseModes: 1.1 ChimeraX-Movie: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nucleotides: 2.0.1 ChimeraX-OpenCommand: 1.5 ChimeraX-PDB: 2.4.1 ChimeraX-PDBBio: 1.0 ChimeraX-PDBLibrary: 1.0.1 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.0.1 ChimeraX-PubChem: 2.0.1 ChimeraX-ReadPbonds: 1.0 ChimeraX-Registration: 1.1 ChimeraX-RemoteControl: 1.0 ChimeraX-ResidueFit: 1.0 ChimeraX-RestServer: 1.1 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 2.0 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.4 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0 ChimeraX-SeqView: 2.3 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0 ChimeraX-Shortcuts: 1.0 ChimeraX-ShowAttr: 1.0 ChimeraX-ShowSequences: 1.0 ChimeraX-SideView: 1.0 ChimeraX-Smiles: 2.0.1 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.3.1 ChimeraX-STL: 1.0 ChimeraX-Storm: 1.0 ChimeraX-Struts: 1.0 ChimeraX-Surface: 1.0 ChimeraX-SwapAA: 2.0 ChimeraX-SwapRes: 2.1 ChimeraX-TapeMeasure: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.0.1 ChimeraX-ToolshedUtils: 1.2 ChimeraX-Tug: 1.0 ChimeraX-UI: 1.7.6 ChimeraX-uniprot: 2.1 ChimeraX-UnitCell: 1.0 ChimeraX-ViewDockX: 1.0 ChimeraX-Vive: 1.1 ChimeraX-VolumeMenu: 1.0 ChimeraX-VTK: 1.0 ChimeraX-WavefrontOBJ: 1.0 ChimeraX-WebCam: 1.0 ChimeraX-WebServices: 1.0 ChimeraX-Zone: 1.0 colorama: 0.4.3 comtypes: 1.1.7 cxservices: 1.0 cycler: 0.10.0 Cython: 0.29.21 decorator: 5.0.9 distlib: 0.3.1 docutils: 0.16 filelock: 3.0.12 funcparserlib: 0.3.6 grako: 3.16.5 h5py: 2.10.0 html2text: 2020.1.16 idna: 2.10 ihm: 0.17 imagecodecs: 2020.5.30 imagesize: 1.2.0 ipykernel: 5.3.4 ipython: 7.18.1 ipython-genutils: 0.2.0 jedi: 0.17.2 Jinja2: 2.11.2 jupyter-client: 6.1.7 jupyter-core: 4.7.1 kiwisolver: 1.3.1 line-profiler: 2.1.2 lxml: 4.6.2 lz4: 3.1.0 MarkupSafe: 2.0.1 matplotlib: 3.3.2 msgpack: 1.0.0 netCDF4: 1.5.4 networkx: 2.5 numexpr: 2.7.3 numpy: 1.19.2 numpydoc: 1.1.0 openvr: 1.14.1501 packaging: 20.9 ParmEd: 3.2.0 parso: 0.7.1 pickleshare: 0.7.5 Pillow: 7.2.0 pip: 21.0.1 pkginfo: 1.5.0.1 prompt-toolkit: 3.0.18 psutil: 5.7.2 pycollada: 0.7.1 pydicom: 2.0.0 Pygments: 2.7.1 PyOpenGL: 3.1.5 PyOpenGL-accelerate: 3.1.5 pyparsing: 2.4.7 PyQt5-commercial: 5.15.2 PyQt5-sip: 12.8.1 PyQtWebEngine-commercial: 5.15.2 python-dateutil: 2.8.1 pytz: 2021.1 pywin32: 228 pyzmq: 22.0.3 qtconsole: 4.7.7 QtPy: 1.9.0 RandomWords: 0.3.0 requests: 2.24.0 scipy: 1.5.2 setuptools: 50.3.2 sfftk-rw: 0.6.7.dev1 six: 1.15.0 snowballstemmer: 2.1.0 sortedcontainers: 2.2.2 Sphinx: 3.2.1 sphinxcontrib-applehelp: 1.0.2 sphinxcontrib-blockdiag: 2.0.0 sphinxcontrib-devhelp: 1.0.2 sphinxcontrib-htmlhelp: 2.0.0 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 1.0.3 sphinxcontrib-serializinghtml: 1.1.5 suds-jurko: 0.6 tables: 3.6.1 tifffile: 2020.9.3 tinyarray: 1.2.3 tornado: 6.1 traitlets: 5.0.5 urllib3: 1.25.11 wcwidth: 0.2.5 webcolors: 1.11.1 wheel: 0.36.0 wheel-filename: 1.3.0 WMI: 1.5.1
Change History (2)
comment:1 by , 3 years ago
Component: | Unassigned → Core |
---|---|
Description: | modified (diff) |
Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → accepted |
Summary: | ChimeraX bug report submission → No error |
comment:2 by , 3 years ago
Status: | accepted → feedback |
---|
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Hi Chonnikan,
--Eric