Opened 4 years ago
Closed 4 years ago
#6244 closed defect (fixed)
ViewdockX after rows deleted: KeyError: 'stars'
Reported by: | Owned by: | pett | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Surface/Binding Analysis | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: macOS-10.16-x86_64-i386-64bit ChimeraX Version: 1.3 (2021-12-08 23:08:33 UTC) Description I deleted some rows in ViewDockX Table and close the window. Log: UCSF ChimeraX version: 1.3 (2021-12-08) © 2016-2021 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open /Users/shahryar/Desktop/Mpro_APR_ZN.pdbqt Chain information for Mpro_APR_ZN.pdb #1 --- Chain | Description A | No description available Opened Mpro_APR_ZN.pdbqt containing 1 structures (2258 atoms, 2308 bonds) > open /Users/shahryar/Desktop/out.pdbqt Summary of feedback from opening /Users/shahryar/Desktop/out.pdbqt --- warnings | Ignored bad PDB record found on line 2 REMARK VINA RESULT: -8.1 0.000 0.000 Ignored bad PDB record found on line 3 REMARK 3 active torsions: Ignored bad PDB record found on line 4 REMARK status: ('A' for Active; 'I' for Inactive) Ignored bad PDB record found on line 5 REMARK 1 A between atoms: O1_1 and C18_21 Ignored bad PDB record found on line 6 REMARK 2 A between atoms: O2_2 and C28_31 130 messages similar to the above omitted Opened out.pdbqt containing 9 structures (315 atoms, 351 bonds) > select ::name="APR" 36 atoms, 39 bonds, 1 residue, 1 model selected > select ::name="UNK" 315 atoms, 351 bonds, 9 residues, 9 models selected > ~select #2.1 280 atoms, 312 bonds, 8 residues, 8 models selected > delete atoms sel > delete bonds sel > save "/Users/shahryar/Documents/My Projects/نوین زیست/Dr. > Bakhtiari/Tabatabaeian/Docking/D1/D1_Mpro_APR.pdb" > open "/Users/shahryar/Downloads/Conformer3D_CID_5892 (1).sdf" PubChem entry 5892 > hide #2.1 models > hide #!2 models > hide #1 models > hide #3 models > show #3 models > select #3 71 atoms, 75 bonds, 1 residue, 1 model selected > select up 2329 atoms, 2383 bonds, 287 residues, 3 models selected > show #1 models > show #!2 models > show #2.1 models > select #2.1 35 atoms, 39 bonds, 1 residue, 1 model selected > select #2 35 atoms, 39 bonds, 1 residue, 2 models selected > select #1 2258 atoms, 2308 bonds, 286 residues, 1 model selected > hide #3 models > delete atoms sel > delete bonds sel > select #2 35 atoms, 39 bonds, 1 residue, 2 models selected > delete atoms sel > delete bonds sel > show #3 models > select #3 71 atoms, 75 bonds, 1 residue, 1 model selected > ~select #3 Nothing selected > hide #2 models > show #2 models > select #2 1 model selected > hide #3 models > delete atoms #2 > delete bonds #2 > hide #2 models > ~select #2 Nothing selected > select #3 71 atoms, 75 bonds, 1 residue, 1 model selected > show #3 models > save "/Users/shahryar/Documents/My Projects/نوین زیست/Dr. > Bakhtiari/Tabatabaeian/Docking/NAD.pdb" > close session > open /Users/shahryar/Downloads/1ei7.pdb1 format pdb 1ei7.pdb1 title: TMV coat protein refined from the 4-layer aggregate [more info...] Chain information for 1ei7.pdb1 --- Chain | Description 1.1/A 1.2/A 1.3/A 1.4/A 1.5/A 1.6/A 1.7/A 1.8/A 1.9/A 1.10/A 1.11/A 1.12/A 1.13/A 1.14/A 1.15/A 1.16/A 1.17/A 1.18/A 1.19/A 1.20/A 1.21/A 1.22/A 1.23/A 1.24/A 1.25/A 1.26/A 1.27/A 1.28/A 1.29/A 1.30/A 1.31/A 1.32/A 1.33/A 1.34/A 1.1/B 1.2/B 1.3/B 1.4/B 1.5/B 1.6/B 1.7/B 1.8/B 1.9/B 1.10/B 1.11/B 1.12/B 1.13/B 1.14/B 1.15/B 1.16/B 1.17/B 1.18/B 1.19/B 1.20/B 1.21/B 1.22/B 1.23/B 1.24/B 1.25/B 1.26/B 1.27/B 1.28/B 1.29/B 1.30/B 1.31/B 1.32/B 1.33/B 1.34/B | No description available > close session > select #1.1/A:1-158 Nothing selected > open /Users/shahryar/Downloads/1ei7.pdb1 format pdb 1ei7.pdb1 title: TMV coat protein refined from the 4-layer aggregate [more info...] Chain information for 1ei7.pdb1 --- Chain | Description 1.1/A 1.2/A 1.3/A 1.4/A 1.5/A 1.6/A 1.7/A 1.8/A 1.9/A 1.10/A 1.11/A 1.12/A 1.13/A 1.14/A 1.15/A 1.16/A 1.17/A 1.18/A 1.19/A 1.20/A 1.21/A 1.22/A 1.23/A 1.24/A 1.25/A 1.26/A 1.27/A 1.28/A 1.29/A 1.30/A 1.31/A 1.32/A 1.33/A 1.34/A 1.1/B 1.2/B 1.3/B 1.4/B 1.5/B 1.6/B 1.7/B 1.8/B 1.9/B 1.10/B 1.11/B 1.12/B 1.13/B 1.14/B 1.15/B 1.16/B 1.17/B 1.18/B 1.19/B 1.20/B 1.21/B 1.22/B 1.23/B 1.24/B 1.25/B 1.26/B 1.27/B 1.28/B 1.29/B 1.30/B 1.31/B 1.32/B 1.33/B 1.34/B | No description available > select #1.1/A:1-158 1235 atoms, 1260 bonds, 158 residues, 1 model selected > select #1.13/A:1-158 1235 atoms, 1260 bonds, 158 residues, 1 model selected > select #1.10/B:201-358 1235 atoms, 1260 bonds, 158 residues, 1 model selected > close session > open /Users/shahryar/Desktop/موقت/SIRT1_Recheck/5btr_A.pdb Summary of feedback from opening /Users/shahryar/Desktop/موقت/SIRT1_Recheck/5btr_A.pdb --- warnings | Ignored bad PDB record found on line 1 REMARK YASARA ************************************************************* Ignored bad PDB record found on line 2 REMARK YASARA * * Ignored bad PDB record found on line 3 REMARK YASARA * Y A S A R A * Ignored bad PDB record found on line 4 REMARK YASARA * * Ignored bad PDB record found on line 5 REMARK YASARA * Yet Another Scientific Artificial Reality Application * 14 messages similar to the above omitted Chain information for 5btr_A.pdb #1 --- Chain | Description A | nad-dependent protein deacetylase sirtuin-1 D | amc-containing peptide > open /Users/shahryar/Desktop/موقت/SIRT1_Recheck/out1.pdbqt Summary of feedback from opening /Users/shahryar/Desktop/موقت/SIRT1_Recheck/out1.pdbqt --- warnings | Ignored bad PDB record found on line 2 REMARK VINA RESULT: -8.2 0.000 0.000 Ignored bad PDB record found on line 4 REMARK status: ('A' for Active; 'I' for Inactive) Ignored bad PDB record found on line 5 REMARK 1 A between atoms: P1_1 and O7_9 Ignored bad PDB record found on line 6 REMARK 2 A between atoms: P1_1 and O9_11 Ignored bad PDB record found on line 7 REMARK 3 A between atoms: P1_1 and O10_12 526 messages similar to the above omitted Opened out1.pdbqt containing 9 structures (477 atoms, 513 bonds) > hide #2.1 models > show #2.1 models > hide #!2 models > show #!2 models > hide #2.2 models > select #2.2 53 atoms, 57 bonds, 1 residue, 1 model selected > show #2.2 models > hide #2.3 models > show #2.3 models > hide #2.4 models > select #2.4 53 atoms, 57 bonds, 1 residue, 1 model selected > hide #2.5 models > show #2.5 models > hide #2.5 models > select #2.5 53 atoms, 57 bonds, 1 residue, 1 model selected > hide #2.6 models > select #2.6 53 atoms, 57 bonds, 1 residue, 1 model selected > hide #2.7 models > hide #2.8 models > hide #2.9 models > select #2.9 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.8 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.7 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.9 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.8 53 atoms, 57 bonds, 1 residue, 1 model selected > show #2.9 models > show #2.8 models > show #2.7 models > select #2.7 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.8 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.7 53 atoms, 57 bonds, 1 residue, 1 model selected > delete atoms sel > delete bonds sel > hide #2.2 models > show #2.2 models > select #2.2 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.3 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.2 53 atoms, 57 bonds, 1 residue, 1 model selected > delete atoms sel > delete bonds sel > show #2.4 models > hide #2.1 models > show #2.1 models > hide #2.3 models > show #2.3 models > select #2.4 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.8 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.4 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.5 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.4 53 atoms, 57 bonds, 1 residue, 1 model selected > delete atoms sel > delete bonds sel > open /Users/shahryar/Desktop/موقت/SIRT1_Recheck/out_noSTL.pdbqt Summary of feedback from opening /Users/shahryar/Desktop/موقت/SIRT1_Recheck/out_noSTL.pdbqt --- warnings | Ignored bad PDB record found on line 2 REMARK VINA RESULT: -8.0 0.000 0.000 Ignored bad PDB record found on line 4 REMARK status: ('A' for Active; 'I' for Inactive) Ignored bad PDB record found on line 5 REMARK 1 A between atoms: P1_1 and O7_9 Ignored bad PDB record found on line 6 REMARK 2 A between atoms: P1_1 and O9_11 Ignored bad PDB record found on line 7 REMARK 3 A between atoms: P1_1 and O10_12 526 messages similar to the above omitted Opened out_noSTL.pdbqt containing 9 structures (477 atoms, 513 bonds) > open /Users/shahryar/Desktop/موقت/SIRT1_Recheck/out_noFTL.pdbqt Summary of feedback from opening /Users/shahryar/Desktop/موقت/SIRT1_Recheck/out_noFTL.pdbqt --- warnings | Ignored bad PDB record found on line 2 REMARK VINA RESULT: -8.1 0.000 0.000 Ignored bad PDB record found on line 4 REMARK status: ('A' for Active; 'I' for Inactive) Ignored bad PDB record found on line 5 REMARK 1 A between atoms: P1_1 and O7_9 Ignored bad PDB record found on line 6 REMARK 2 A between atoms: P1_1 and O9_11 Ignored bad PDB record found on line 7 REMARK 3 A between atoms: P1_1 and O10_12 526 messages similar to the above omitted Opened out_noFTL.pdbqt containing 9 structures (477 atoms, 513 bonds) > hide #3.1 models > show #3.1 models > hide #3.2 models > show #3.2 models > hide #3.3 models > show #3.3 models > select #3.2 53 atoms, 57 bonds, 1 residue, 1 model selected > select #3.3 53 atoms, 57 bonds, 1 residue, 1 model selected > hide #3.4 models > show #3.4 models > hide #3.6 models > show #3.6 models > select #3.6 53 atoms, 57 bonds, 1 residue, 1 model selected > hide #3.7 models > show #3.7 models > hide #3.5 models > show #3.5 models > hide #3.4 models > show #3.4 models > hide #3.7 models > show #3.7 models > select #3.7 53 atoms, 57 bonds, 1 residue, 1 model selected > hide #3.8 models > show #3.8 models > select #3.8 53 atoms, 57 bonds, 1 residue, 1 model selected > delete atoms sel > delete bonds sel > select #1 3061 atoms, 3138 bonds, 5 pseudobonds, 379 residues, 3 models selected > ~select #1 Nothing selected > select #2.1 53 atoms, 57 bonds, 1 residue, 1 model selected > ~select #2.1 Nothing selected > select #2.3 53 atoms, 57 bonds, 1 residue, 1 model selected > ~select #2.3 Nothing selected > select #2.8 53 atoms, 57 bonds, 1 residue, 1 model selected > ~select #2.8 Nothing selected > select #2.8 53 atoms, 57 bonds, 1 residue, 1 model selected > delete atoms sel > delete bonds sel > show #2.5 models > hide #2.5 models > show #2.5 models > show #2.6 models > select #2.5 53 atoms, 57 bonds, 1 residue, 1 model selected > delete atoms sel > delete bonds sel > select #2.6 53 atoms, 57 bonds, 1 residue, 1 model selected > delete atoms sel > delete bonds sel > select #2.9 53 atoms, 57 bonds, 1 residue, 1 model selected > delete atoms sel > delete bonds sel > select #3 424 atoms, 456 bonds, 8 residues, 9 models selected > ~select #3 Nothing selected > hide #3.1 models > show #3.1 models > hide #3.1 models > show #3.1 models > hide #3.2 models > select #3.2 53 atoms, 57 bonds, 1 residue, 1 model selected > hide #3.3 models > select #3.3 53 atoms, 57 bonds, 1 residue, 1 model selected > select #3.2 53 atoms, 57 bonds, 1 residue, 1 model selected > delete atoms #1-2,4#3.1,4-7,9#!3 > delete bonds #1-2,4#3.1,4-7,9#!3 > show #3.3 models > show #3.2 models > hide #2 models > undo [Repeated 9 time(s)] > movie record > turn y 2 180 > wait 180 > movie encode /Users/shahryar/Desktop/movie1.mp4 Movie saved to /Users/shahryar/Desktop/movie1.mp4 > movie record > turn y 2 180 > wait 180 > movie encode /Users/shahryar/Desktop/movie2.mp4 Movie saved to /Users/shahryar/Desktop/movie2.mp4 > movie record > turn y 2 180 > wait 180 > movie encode /Users/shahryar/Desktop/movie3.mp4 Movie saved to /Users/shahryar/Desktop/movie3.mp4 > movie record > turn y 2 180 > wait 180 > movie encode /Users/shahryar/Desktop/movie4.mp4 Movie saved to /Users/shahryar/Desktop/movie4.mp4 > movie record > turn y 2 180 > wait 180 > movie encode /Users/shahryar/Desktop/movie5.mp4 Movie saved to /Users/shahryar/Desktop/movie5.mp4 > ضضعهف Unknown command: ضضعهف > lighting full > lighting simple > ui tool show "Selection Inspector" > open /Users/shahryar/Desktop/موقت/SIRT1_Recheck/5btr_A.pdb format pdb Summary of feedback from opening /Users/shahryar/Desktop/موقت/SIRT1_Recheck/5btr_A.pdb --- warnings | Ignored bad PDB record found on line 1 REMARK YASARA ************************************************************* Ignored bad PDB record found on line 2 REMARK YASARA * * Ignored bad PDB record found on line 3 REMARK YASARA * Y A S A R A * Ignored bad PDB record found on line 4 REMARK YASARA * * Ignored bad PDB record found on line 5 REMARK YASARA * Yet Another Scientific Artificial Reality Application * 14 messages similar to the above omitted Chain information for 5btr_A.pdb #1 --- Chain | Description A | nad-dependent protein deacetylase sirtuin-1 D | amc-containing peptide > hide #1.1 models > show #1.1 models > hide #1.2 models > show #1.2 models > hide #1.1 models > show #1.1 models > hide #!1 models > show #!1 models > hide #2 models > show #2 models > hide #!3 models > hide #4 models > hide #2 models > show #2 models > select #2 1 model selected > ~select #2 Nothing selected > hide #2 models > show #2 models > select #2 1 model selected > close session > open /Users/shahryar/Desktop/موقت/SIRT1_Recheck/5btr_A.pdb format pdb Summary of feedback from opening /Users/shahryar/Desktop/موقت/SIRT1_Recheck/5btr_A.pdb --- warnings | Ignored bad PDB record found on line 1 REMARK YASARA ************************************************************* Ignored bad PDB record found on line 2 REMARK YASARA * * Ignored bad PDB record found on line 3 REMARK YASARA * Y A S A R A * Ignored bad PDB record found on line 4 REMARK YASARA * * Ignored bad PDB record found on line 5 REMARK YASARA * Yet Another Scientific Artificial Reality Application * 14 messages similar to the above omitted Chain information for 5btr_A.pdb #1 --- Chain | Description A | nad-dependent protein deacetylase sirtuin-1 D | amc-containing peptide > open /Users/shahryar/Desktop/موقت/SIRT1_Recheck/out1.pdbqt format pdbqt Summary of feedback from opening /Users/shahryar/Desktop/موقت/SIRT1_Recheck/out1.pdbqt --- warnings | Ignored bad PDB record found on line 2 REMARK VINA RESULT: -8.2 0.000 0.000 Ignored bad PDB record found on line 4 REMARK status: ('A' for Active; 'I' for Inactive) Ignored bad PDB record found on line 5 REMARK 1 A between atoms: P1_1 and O7_9 Ignored bad PDB record found on line 6 REMARK 2 A between atoms: P1_1 and O9_11 Ignored bad PDB record found on line 7 REMARK 3 A between atoms: P1_1 and O10_12 526 messages similar to the above omitted Opened out1.pdbqt containing 9 structures (477 atoms, 513 bonds) > hide #!2 models > show #!2 models > hide #2.1 models > show #2.1 models > hide #2.2 models > hide #2.3 models > show #2.3 models > hide #2.4 models > hide #2.5 models > hide #2.6 models > hide #2.7 models > hide #2.8 models > hide #2.9 models > select #2.9 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.8 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.9 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.8 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.9 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.8 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.9 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.4 53 atoms, 57 bonds, 1 residue, 1 model selected > select add #1/A 3022 atoms, 3099 bonds, 5 pseudobonds, 373 residues, 4 models selected > select #1 3061 atoms, 3138 bonds, 5 pseudobonds, 379 residues, 3 models selected > select #2.9 53 atoms, 57 bonds, 1 residue, 1 model selected > ui tool show "Show Sequence Viewer" > sequence chain #1/D Alignment identifier is 1/D > sequence chain #1/A Alignment identifier is 1/A > select #1/D:0 3 atoms, 2 bonds, 1 residue, 1 model selected > select #1/D:0-4 58 atoms, 60 bonds, 5 residues, 1 model selected > show #2.4 models > hide #2.4 models > select #2.4 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.5 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.7 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2 477 atoms, 513 bonds, 9 residues, 10 models selected > ~select #2 Nothing selected > select #2.2 53 atoms, 57 bonds, 1 residue, 1 model selected > delete atoms #1#2.1,3#!2 > delete bonds #1#2.1,3#!2 > select #2 371 atoms, 399 bonds, 7 residues, 8 models selected > hide #!2 models > show #!2 models > show #2.2 models > show #2.4 models > hide #!2 models > show #!2 models > close session > open /Users/shahryar/Desktop/موقت/SIRT1_Recheck/out1.pdbqt format pdbqt Summary of feedback from opening /Users/shahryar/Desktop/موقت/SIRT1_Recheck/out1.pdbqt --- warnings | Ignored bad PDB record found on line 2 REMARK VINA RESULT: -8.2 0.000 0.000 Ignored bad PDB record found on line 4 REMARK status: ('A' for Active; 'I' for Inactive) Ignored bad PDB record found on line 5 REMARK 1 A between atoms: P1_1 and O7_9 Ignored bad PDB record found on line 6 REMARK 2 A between atoms: P1_1 and O9_11 Ignored bad PDB record found on line 7 REMARK 3 A between atoms: P1_1 and O10_12 526 messages similar to the above omitted Opened out1.pdbqt containing 9 structures (477 atoms, 513 bonds) > select #1.1 53 atoms, 57 bonds, 1 residue, 1 model selected > ~select #1.1 Nothing selected > select #1.2 53 atoms, 57 bonds, 1 residue, 1 model selected > delete atoms sel > delete bonds sel > select #1.4 53 atoms, 57 bonds, 1 residue, 1 model selected > hide #1.4 models > hide #1.5 models > show #1.5 models > select #1.5 53 atoms, 57 bonds, 1 residue, 1 model selected > hide #1.5 models > hide #1.6 models > delete atoms #1.1,3,7-9#!1 > delete bonds #1.1,3,7-9#!1 > show #1.4 models > show #1.5 models > show #1.6 models > select #1.6 53 atoms, 57 bonds, 1 residue, 1 model selected > hide #1.6 models > show #1.6 models > delete atoms sel > delete bonds sel > open /Users/shahryar/Desktop/موقت/SIRT1_Recheck/5btr_A.pdb format pdb Summary of feedback from opening /Users/shahryar/Desktop/موقت/SIRT1_Recheck/5btr_A.pdb --- warnings | Ignored bad PDB record found on line 1 REMARK YASARA ************************************************************* Ignored bad PDB record found on line 2 REMARK YASARA * * Ignored bad PDB record found on line 3 REMARK YASARA * Y A S A R A * Ignored bad PDB record found on line 4 REMARK YASARA * * Ignored bad PDB record found on line 5 REMARK YASARA * Yet Another Scientific Artificial Reality Application * 14 messages similar to the above omitted Chain information for 5btr_A.pdb #2 --- Chain | Description A | nad-dependent protein deacetylase sirtuin-1 D | amc-containing peptide > interfaces ~solvent 3 buried areas: #2/A #2/D 962, #2/A #1.4/ 458, #2/A #1.5/ 402 > ui mousemode right zoom [Repeated 1 time(s)] > ui mousemode right translate > ui mousemode right zoom > ui mousemode right "contour level" [Repeated 1 time(s)] > ui mousemode right "move planes" > ui mousemode right "rotate slab" > ui mousemode right "crop volume" > ui mousemode right "pick blobs" > volume appearance brain No volumes specified > volume appearance brain No volumes specified > view > open /Users/shahryar/Desktop/موقت/SIRT1_Recheck/out_noSTL.pdbqt format pdbqt Summary of feedback from opening /Users/shahryar/Desktop/موقت/SIRT1_Recheck/out_noSTL.pdbqt --- warnings | Ignored bad PDB record found on line 2 REMARK VINA RESULT: -8.0 0.000 0.000 Ignored bad PDB record found on line 4 REMARK status: ('A' for Active; 'I' for Inactive) Ignored bad PDB record found on line 5 REMARK 1 A between atoms: P1_1 and O7_9 Ignored bad PDB record found on line 6 REMARK 2 A between atoms: P1_1 and O9_11 Ignored bad PDB record found on line 7 REMARK 3 A between atoms: P1_1 and O10_12 526 messages similar to the above omitted Opened out_noSTL.pdbqt containing 9 structures (477 atoms, 513 bonds) > close session > open /Users/shahryar/Desktop/موقت/SIRT1_Recheck/5btr_A.pdb format pdb Summary of feedback from opening /Users/shahryar/Desktop/موقت/SIRT1_Recheck/5btr_A.pdb --- warnings | Ignored bad PDB record found on line 1 REMARK YASARA ************************************************************* Ignored bad PDB record found on line 2 REMARK YASARA * * Ignored bad PDB record found on line 3 REMARK YASARA * Y A S A R A * Ignored bad PDB record found on line 4 REMARK YASARA * * Ignored bad PDB record found on line 5 REMARK YASARA * Yet Another Scientific Artificial Reality Application * 14 messages similar to the above omitted Chain information for 5btr_A.pdb #1 --- Chain | Description A | nad-dependent protein deacetylase sirtuin-1 D | amc-containing peptide > open /Users/shahryar/Desktop/موقت/SIRT1_Recheck/out1.pdbqt format pdbqt Summary of feedback from opening /Users/shahryar/Desktop/موقت/SIRT1_Recheck/out1.pdbqt --- warnings | Ignored bad PDB record found on line 2 REMARK VINA RESULT: -8.2 0.000 0.000 Ignored bad PDB record found on line 4 REMARK status: ('A' for Active; 'I' for Inactive) Ignored bad PDB record found on line 5 REMARK 1 A between atoms: P1_1 and O7_9 Ignored bad PDB record found on line 6 REMARK 2 A between atoms: P1_1 and O9_11 Ignored bad PDB record found on line 7 REMARK 3 A between atoms: P1_1 and O10_12 526 messages similar to the above omitted Opened out1.pdbqt containing 9 structures (477 atoms, 513 bonds) > hide #2.1 models > show #2.1 models > hide #2.2 models > show #2.2 models > hide #2.3 models > show #2.3 models > delete atoms > delete bonds > close session > open /Users/shahryar/Desktop/موقت/SIRT1_Recheck/5btr_A.pdb format pdb Summary of feedback from opening /Users/shahryar/Desktop/موقت/SIRT1_Recheck/5btr_A.pdb --- warnings | Ignored bad PDB record found on line 1 REMARK YASARA ************************************************************* Ignored bad PDB record found on line 2 REMARK YASARA * * Ignored bad PDB record found on line 3 REMARK YASARA * Y A S A R A * Ignored bad PDB record found on line 4 REMARK YASARA * * Ignored bad PDB record found on line 5 REMARK YASARA * Yet Another Scientific Artificial Reality Application * 14 messages similar to the above omitted Chain information for 5btr_A.pdb #1 --- Chain | Description A | nad-dependent protein deacetylase sirtuin-1 D | amc-containing peptide > open /Users/shahryar/Desktop/موقت/SIRT1_Recheck/out1.pdbqt format pdbqt Summary of feedback from opening /Users/shahryar/Desktop/موقت/SIRT1_Recheck/out1.pdbqt --- warnings | Ignored bad PDB record found on line 2 REMARK VINA RESULT: -8.2 0.000 0.000 Ignored bad PDB record found on line 4 REMARK status: ('A' for Active; 'I' for Inactive) Ignored bad PDB record found on line 5 REMARK 1 A between atoms: P1_1 and O7_9 Ignored bad PDB record found on line 6 REMARK 2 A between atoms: P1_1 and O9_11 Ignored bad PDB record found on line 7 REMARK 3 A between atoms: P1_1 and O10_12 526 messages similar to the above omitted Opened out1.pdbqt containing 9 structures (477 atoms, 513 bonds) > toolshed show > ui tool show ViewDockX > hide #2.1-9 models > show #2.1 models > hide #2.1 models > show #2.1 models > hide #2.1 models > show #2.2 models > hide #2.2 models > show #2.2 models > hide #2.2 models > show #2.1 models > hide #2.1 models > show #2.2 models > hide #2.2 models > show #2.4 models > show #2.2 models > show #2.3 models > hide #2.3 models > hide #2.2,4 models > show #2.4 models > show #2.1 models > hide #2.4 models > clashes #2.1-9 restrict #!1 reveal true interSubmodel true No clashes > clashes #2.1-9 restrict #!1 reveal true interSubmodel true No clashes > clashes #2.1-9 restrict #!1 reveal true interSubmodel true No clashes > ui tool show ViewDockX > show #2.2 models > hide #2.1 models > show #2.3 models > hide #2.3 models > show #2.4 models > show #2.5 models > show #2.6 models > show #2.7 models > show #2.9 models > show #2.8 models > select #2.9 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.8 53 atoms, 57 bonds, 1 residue, 1 model selected > select #2.9 53 atoms, 57 bonds, 1 residue, 1 model selected > delete atoms sel > delete bonds sel Traceback (most recent call last): File "/Applications/ChimeraX-1.3.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/ui/widgets/htmlview.py", line 333, in interceptRequest self._callback(info) File "/Applications/ChimeraX-1.3.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/ui/widgets/htmlview.py", line 92, in _intercept return interceptor(request_info, *args) File "/Applications/ChimeraX-1.3.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/ui/htmltool.py", line 112, in _navigate self.session.ui.thread_safe(self.handle_scheme, url) File "/Applications/ChimeraX-1.3.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/ui/gui.py", line 382, in thread_safe func(*args, **kw) File "/Applications/ChimeraX-1.3.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/viewdockx/tool.py", line 380, in handle_scheme method(query) File "/Applications/ChimeraX-1.3.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/viewdockx/tool.py", line 486, in _cb_prune stars = int(query["stars"][0]) KeyError: 'stars' KeyError: 'stars' File "/Applications/ChimeraX-1.3.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/viewdockx/tool.py", line 486, in _cb_prune stars = int(query["stars"][0]) See log for complete Python traceback. OpenGL version: 4.1 NVIDIA-16.0.13 OpenGL renderer: NVIDIA GeForce GT 750M OpenGL Engine OpenGL vendor: NVIDIA CorporationHardware: Hardware Overview: Model Name: MacBook Pro Model Identifier: MacBookPro11,3 Processor Name: Quad-Core Intel Core i7 Processor Speed: 2.3 GHz Number of Processors: 1 Total Number of Cores: 4 L2 Cache (per Core): 256 KB L3 Cache: 6 MB Hyper-Threading Technology: Enabled Memory: 16 GB System Firmware Version: 432.60.3.0.0 SMC Version (system): 2.19f12 Software: System Software Overview: System Version: macOS 11.6.2 (20G314) Kernel Version: Darwin 20.6.0 Time since boot: 5 days 16:51 Graphics/Displays: Intel Iris Pro: Chipset Model: Intel Iris Pro Type: GPU Bus: Built-In VRAM (Dynamic, Max): 1536 MB Vendor: Intel Device ID: 0x0d26 Revision ID: 0x0008 Automatic Graphics Switching: Supported gMux Version: 4.0.8 [3.2.8] Metal Family: Supported, Metal GPUFamily macOS 1 NVIDIA GeForce GT 750M: Chipset Model: NVIDIA GeForce GT 750M Type: GPU Bus: PCIe PCIe Lane Width: x8 VRAM (Total): 2 GB Vendor: NVIDIA (0x10de) Device ID: 0x0fe9 Revision ID: 0x00a2 ROM Revision: 3776 Automatic Graphics Switching: Supported gMux Version: 4.0.8 [3.2.8] Metal Family: Supported, Metal GPUFamily macOS 1 Displays: Color LCD: Display Type: Built-In Retina LCD Resolution: 2880 x 1800 Retina Framebuffer Depth: 24-Bit Color (ARGB8888) Main Display: Yes Mirror: Off Online: Yes Automatically Adjust Brightness: Yes Connection Type: Internal Locale: (None, 'UTF-8') PyQt5 5.15.2, Qt 5.15.2 Installed Packages: alabaster: 0.7.12 appdirs: 1.4.4 appnope: 0.1.2 Babel: 2.9.1 backcall: 0.2.0 blockdiag: 2.0.1 certifi: 2021.5.30 cftime: 1.5.1.1 charset-normalizer: 2.0.9 ChimeraX-AddCharge: 1.2.2 ChimeraX-AddH: 2.1.11 ChimeraX-AlignmentAlgorithms: 2.0 ChimeraX-AlignmentHdrs: 3.2 ChimeraX-AlignmentMatrices: 2.0 ChimeraX-Alignments: 2.2.3 ChimeraX-AlphaFold: 1.0 ChimeraX-AltlocExplorer: 1.0.1 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.0 ChimeraX-Atomic: 1.31 ChimeraX-AtomicLibrary: 4.2 ChimeraX-AtomSearch: 2.0 ChimeraX-AtomSearchLibrary: 1.0 ChimeraX-AxesPlanes: 2.0 ChimeraX-BasicActions: 1.1 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 2.0 ChimeraX-BondRot: 2.0 ChimeraX-BugReporter: 1.0 ChimeraX-BuildStructure: 2.6.1 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.1 ChimeraX-ButtonPanel: 1.0 ChimeraX-CageBuilder: 1.0 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.2 ChimeraX-ChemGroup: 2.0 ChimeraX-Clashes: 2.2.2 ChimeraX-ColorActions: 1.0 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5 ChimeraX-CommandLine: 1.1.5 ChimeraX-ConnectStructure: 2.0 ChimeraX-Contacts: 1.0 ChimeraX-Core: 1.3 ChimeraX-CoreFormats: 1.1 ChimeraX-coulombic: 1.3.2 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0 ChimeraX-DataFormats: 1.2.2 ChimeraX-Dicom: 1.0 ChimeraX-DistMonitor: 1.1.5 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: 1.1 ChimeraX-Hbonds: 2.1.2 ChimeraX-Help: 1.2 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 ChimeraX-Label: 1.1 ChimeraX-ListInfo: 1.1.1 ChimeraX-Log: 1.1.4 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.8.1 ChimeraX-Map: 1.1 ChimeraX-MapData: 2.0 ChimeraX-MapEraser: 1.0 ChimeraX-MapFilter: 2.0 ChimeraX-MapFit: 2.0 ChimeraX-MapSeries: 2.1 ChimeraX-Markers: 1.0 ChimeraX-Mask: 1.0 ChimeraX-MatchMaker: 2.0.4 ChimeraX-MDcrds: 2.6 ChimeraX-MedicalToolbar: 1.0.1 ChimeraX-Meeting: 1.0 ChimeraX-MLP: 1.1 ChimeraX-mmCIF: 2.4 ChimeraX-MMTF: 2.1 ChimeraX-Modeller: 1.2.6 ChimeraX-ModelPanel: 1.2.1 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: 2.0.2 ChimeraX-OpenCommand: 1.7 ChimeraX-PDB: 2.6.5 ChimeraX-PDBBio: 1.0 ChimeraX-PDBLibrary: 1.0.2 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.0.1 ChimeraX-PubChem: 2.1 ChimeraX-ReadPbonds: 1.0.1 ChimeraX-Registration: 1.1 ChimeraX-RemoteControl: 1.0 ChimeraX-ResidueFit: 1.0 ChimeraX-RestServer: 1.1 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 2.0.1 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.5 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.4.6 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0 ChimeraX-Shortcuts: 1.1 ChimeraX-ShowAttr: 1.0 ChimeraX-ShowSequences: 1.0 ChimeraX-SideView: 1.0 ChimeraX-Smiles: 2.1 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.6.1 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: 1.1 ChimeraX-ToolshedUtils: 1.2 ChimeraX-Tug: 1.0 ChimeraX-UI: 1.13.7 ChimeraX-uniprot: 2.2 ChimeraX-UnitCell: 1.0 ChimeraX-ViewDockX: 1.0.1 ChimeraX-VIPERdb: 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: 0.4.4 cxservices: 1.1 cycler: 0.11.0 Cython: 0.29.24 decorator: 5.1.0 docutils: 0.17.1 filelock: 3.0.12 funcparserlib: 0.3.6 grako: 3.16.5 h5py: 3.6.0 html2text: 2020.1.16 idna: 3.3 ihm: 0.21 imagecodecs: 2021.4.28 imagesize: 1.3.0 ipykernel: 5.5.5 ipython: 7.23.1 ipython-genutils: 0.2.0 jedi: 0.18.0 Jinja2: 3.0.1 jupyter-client: 6.1.12 jupyter-core: 4.9.1 kiwisolver: 1.3.2 lxml: 4.6.3 lz4: 3.1.3 MarkupSafe: 2.0.1 matplotlib: 3.4.3 matplotlib-inline: 0.1.3 msgpack: 1.0.2 netCDF4: 1.5.7 networkx: 2.6.3 numexpr: 2.8.0 numpy: 1.21.2 openvr: 1.16.801 packaging: 21.0 ParmEd: 3.2.0 parso: 0.8.3 pexpect: 4.8.0 pickleshare: 0.7.5 Pillow: 8.3.2 pip: 21.2.4 pkginfo: 1.7.1 prompt-toolkit: 3.0.23 psutil: 5.8.0 ptyprocess: 0.7.0 pycollada: 0.7.1 pydicom: 2.1.2 Pygments: 2.10.0 PyOpenGL: 3.1.5 PyOpenGL-accelerate: 3.1.5 pyparsing: 3.0.6 PyQt5-commercial: 5.15.2 PyQt5-sip: 12.8.1 PyQtWebEngine-commercial: 5.15.2 python-dateutil: 2.8.2 pytz: 2021.3 pyzmq: 22.3.0 qtconsole: 5.1.1 QtPy: 1.11.3 RandomWords: 0.3.0 requests: 2.26.0 scipy: 1.7.1 setuptools: 57.5.0 sfftk-rw: 0.7.1 six: 1.16.0 snowballstemmer: 2.2.0 sortedcontainers: 2.4.0 Sphinx: 4.2.0 sphinx-autodoc-typehints: 1.12.0 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 tifffile: 2021.4.8 tinyarray: 1.2.3 tornado: 6.1 traitlets: 5.1.1 urllib3: 1.26.7 wcwidth: 0.2.5 webcolors: 1.11.1 wheel: 0.37.0 wheel-filename: 1.3.0
Change History (2)
comment:1 by , 4 years ago
Component: | Unassigned → Surface/Binding Analysis |
---|---|
Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → accepted |
Summary: | ChimeraX bug report submission → ViewdockX after rows deleted: KeyError: 'stars' |
comment:2 by , 4 years ago
Resolution: | → fixed |
---|---|
Status: | accepted → closed |
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Fixed in tomorrow's daily build