Opened 4 weeks ago
Closed 4 weeks ago
#18831 closed defect (not a bug)
AddH: more than 2 coplanar positions specified
Reported by: | Owned by: | pett | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Structure Editing | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: macOS-15.6.1-arm64-arm-64bit ChimeraX Version: 1.9 (2024-12-11 19:11:19 UTC) Description Replace this text with list of actions that caused this problem to occur Log: Startup Messages --- note | available bundle cache has not been initialized yet UCSF ChimeraX version: 1.9 (2024-12-11) © 2016-2024 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open /Users/qianjia/Desktop/DMC1结构分析/八聚体.pdb Chain information for 八聚体.pdb #1 --- Chain | Description A | No description available B | No description available C | No description available D | No description available Computing secondary structure > open /Users/qianjia/Desktop/hDMC1-8r2g.pdb Chain information for hDMC1-8r2g.pdb #2 --- Chain | Description A B | No description available C | No description available D | No description available E | No description available F | No description available G | No description available H | No description available > ui tool show Matchmaker > matchmaker #!2 to #1 Computing secondary structure [Repeated 2 time(s)] 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 八聚体.pdb, chain C (#1) with hDMC1-8r2g.pdb, chain H (#2), sequence alignment score = 856.8 RMSD between 193 pruned atom pairs is 0.806 angstroms; (across all 238 pairs: 2.946) > hide surfaces [Repeated 1 time(s)] > show cartoons > hide surfaces [Repeated 2 time(s)] > show cartoons [Repeated 2 time(s)] > hide surfaces > color bychain [Repeated 2 time(s)] > hide surfaces [Repeated 4 time(s)] > show surfaces > hide surfaces > show cartoons > color bypolymer [Repeated 2 time(s)] > color byhetero [Repeated 1 time(s)] > color bypolymer > hide surfaces [Repeated 4 time(s)] > hide atoms > color #2 #accfe8ff > color #2 #b7da89ff > color #1 #accfeaff > set bgColor white > lighting soft > view orient > view fit Expected an objects specifier or a view name or a keyword > save overlay.pdb > save comparison.png > rmsd Missing or invalid "atoms" argument: empty atom specifier > view save myview Expected an objects specifier or a view name or a keyword > volume hide No volumes specified > volume hide No volumes specified > set bgColor white > view [Repeated 3 time(s)] > view orient [Repeated 5 time(s)] > save /Users/qianjia/Desktop/DMC1结构分析/比对.tif width 1091 height 829 > supersample 3 transparentBackground true > ui tool show "Side View" [Repeated 1 time(s)] > color #2 #69976eff > cd /Users/qianjia/Desktop/DMC1结构分析 Current working directory is: /Users/qianjia/Desktop/DMC1结构分析 > save /Users/qianjia/Desktop/DMC1结构分析/比对2.tif width 1092 height 830 > supersample 3 transparentBackground true > ui tool show "Side View" [Repeated 1 time(s)] > view orient > hide #2.7 models > show #2.7 models > hide #2.7 models > show #2.7 models > select add #2.6 1875 atoms, 240 residues, 1 model selected > select subtract #2.6 1 model selected > hide #2.9 models > show #2.9 models > hide #2.9 models > show #2.9 models > select add #2.9 1888 atoms, 241 residues, 1 model selected > select subtract #2.9 1 model selected > select add #2.9 1888 atoms, 241 residues, 1 model selected > select subtract #2.9 1 model selected > select add #2 14968 atoms, 15235 bonds, 8 pseudobonds, 1912 residues, 2 models selected > select subtract #2 8 models selected > save /Users/qianjia/Desktop/DMC1结构分析/比对3.tif width 1235 height 1001 > supersample 3 > save /Users/qianjia/Desktop/DMC1结构分析/比对3.tif width 1235 height 1001 > supersample 3 transparentBackground true > hide #1.2 models > show #1.2 models > select add #1.2 4466 atoms, 608 residues, 1 model selected > select add #1.3 8972 atoms, 1222 residues, 2 models selected > select add #1.4 13418 atoms, 1834 residues, 3 models selected > select subtract #1.4 8972 atoms, 1222 residues, 4 models selected > select subtract #1.2 4506 atoms, 614 residues, 3 models selected > select subtract #1.3 1 model selected > color bychain > color #1 #a1a1a1ff > color #2 #83aa81ff > color bychain [Repeated 1 time(s)] > color #1 #bad6f1ff > color #2 #636363ff > color #2 #88b286ff > save /Users/qianjia/Desktop/DMC1结构分析/比对4.tif width 1235 height 1001 > supersample 3 > save /Users/qianjia/Desktop/DMC1结构分析/比对5.tif width 1235 height 1001 > supersample 3 > save /Users/qianjia/Desktop/DMC1结构分析/比对5.tif width 1235 height 1001 > supersample 3 transparentBackground true > color #2 #c3a7ceff > color #2 #a881bcff > color #1 #9ec9e4ff > color #2 #e9748eff > color #2 #ffe4ebff > color #2 #9495beff > color #2 #a881bcff > color #2 #e6738cff > color #2 #eb84a4ff > save /Users/qianjia/Desktop/DMC1结构分析/比对6.tif width 1236 height 1002 > supersample 3 transparentBackground true > save /Users/qianjia/Desktop/DMC1结构分析/比对7.tif width 1236 height 1002 > supersample 3 transparentBackground true > color #1 #279246ff > view [Repeated 7 time(s)] > lighting soft [Repeated 1 time(s)] > lighting full > lighting soft > lighting full > lighting soft > lighting simple > lighting soft > save /Users/qianjia/Desktop/DMC1结构分析/比对8.tif width 1236 height 1002 > supersample 3 > view orient > color #1 #5477b8ff > save /Users/qianjia/Desktop/DMC1结构分析/比对9.tif width 1237 height 1003 > supersample 3 transparentBackground true > view orient > select add #2 14968 atoms, 15235 bonds, 8 pseudobonds, 1912 residues, 2 models selected > select subtract #2 8 models selected > select add #2 14968 atoms, 15235 bonds, 8 pseudobonds, 1912 residues, 2 models selected > select subtract #2 8 models selected > save /Users/qianjia/Desktop/DMC1结构分析/比对10.tif width 1237 height 1003 > supersample 3 transparentBackground true > open /Users/qianjia/Desktop/DMC1结构分析/20聚体2.pdb Chain information for 20聚体2.pdb #3 --- Chain | Description A | No description available B | No description available C | No description available D | No description available Computing secondary structure > select add #1 17834 atoms, 18078 bonds, 10 pseudobonds, 2438 residues, 2 models selected > select subtract #1 4 models selected > hide target m > show #!3 models > hide #!3 models > show #!3 models > hide #!3 models > show #!3 models > coulombic #!3 The following residues are missing heavy (non-hydrogen) atoms, which may result in inaccurate electrostatics: 20聚体2.pdb #3/A VAL 44 20聚体2.pdb #3/A VAL 44 20聚体2.pdb #3/A VAL 44 20聚体2.pdb #3/A VAL 44 20聚体2.pdb #3/A LYS 45 20聚体2.pdb #3/A LYS 45 20聚体2.pdb #3/A LYS 45 20聚体2.pdb #3/A LYS 45 20聚体2.pdb #3/A LYS 70 20聚体2.pdb #3/A LYS 70 20聚体2.pdb #3/A LYS 70 20聚体2.pdb #3/A LYS 70 20聚体2.pdb #3/A GLU 82 20聚体2.pdb #3/A GLU 82 20聚体2.pdb #3/A GLU 82 20聚体2.pdb #3/A GLU 82 20聚体2.pdb #3/A ARG 136 20聚体2.pdb #3/A ARG 136 20聚体2.pdb #3/A ARG 136 20聚体2.pdb #3/A ARG 136 20聚体2.pdb #3/A ARG 235 20聚体2.pdb #3/A ARG 235 20聚体2.pdb #3/A ARG 235 20聚体2.pdb #3/A ARG 235 20聚体2.pdb #3/A ASP 237 20聚体2.pdb #3/A ASP 237 20聚体2.pdb #3/A ASP 237 20聚体2.pdb #3/A ASP 237 20聚体2.pdb #3/A PHE 238 20聚体2.pdb #3/A PHE 238 20聚体2.pdb #3/A PHE 238 20聚体2.pdb #3/A PHE 238 20聚体2.pdb #3/A LEU 244 20聚体2.pdb #3/A LEU 244 20聚体2.pdb #3/A LEU 244 20聚体2.pdb #3/A LEU 244 20聚体2.pdb #3/A ASP 246 20聚体2.pdb #3/A ASP 246 20聚体2.pdb #3/A ASP 246 20聚体2.pdb #3/A ASP 246 20聚体2.pdb #3/A ARG 247 20聚体2.pdb #3/A ARG 247 20聚体2.pdb #3/A ARG 247 20聚体2.pdb #3/A ARG 247 20聚体2.pdb #3/A GLN 248 20聚体2.pdb #3/A GLN 248 20聚体2.pdb #3/A GLN 248 20聚体2.pdb #3/A GLN 248 20聚体2.pdb #3/A LYS 250 20聚体2.pdb #3/A LYS 250 20聚体2.pdb #3/A LYS 250 20聚体2.pdb #3/A LYS 250 20聚体2.pdb #3/A ASP 287 20聚体2.pdb #3/A ASP 287 20聚体2.pdb #3/A ASP 287 20聚体2.pdb #3/A ASP 287 20聚体2.pdb #3/A LYS 289 20聚体2.pdb #3/A LYS 289 20聚体2.pdb #3/A LYS 289 20聚体2.pdb #3/A LYS 289 20聚体2.pdb #3/A LYS 290 20聚体2.pdb #3/A LYS 290 20聚体2.pdb #3/A LYS 290 20聚体2.pdb #3/A LYS 290 20聚体2.pdb #3/A HIS 295 20聚体2.pdb #3/A HIS 295 20聚体2.pdb #3/A HIS 295 20聚体2.pdb #3/A HIS 295 20聚体2.pdb #3/A LYS 311 20聚体2.pdb #3/A LYS 311 20聚体2.pdb #3/A LYS 311 20聚体2.pdb #3/A LYS 311 20聚体2.pdb #3/A LYS 343 20聚体2.pdb #3/A LYS 343 20聚体2.pdb #3/A LYS 343 20聚体2.pdb #3/A LYS 343 20聚体2.pdb #3/B LEU 34 20聚体2.pdb #3/B LEU 34 20聚体2.pdb #3/B LEU 34 20聚体2.pdb #3/B LEU 34 20聚体2.pdb #3/B LYS 45 20聚体2.pdb #3/B LYS 45 20聚体2.pdb #3/B LYS 45 20聚体2.pdb #3/B LYS 45 20聚体2.pdb #3/B GLU 49 20聚体2.pdb #3/B GLU 49 20聚体2.pdb #3/B GLU 49 20聚体2.pdb #3/B GLU 49 20聚体2.pdb #3/B LYS 70 20聚体2.pdb #3/B LYS 70 20聚体2.pdb #3/B LYS 70 20聚体2.pdb #3/B LYS 70 20聚体2.pdb #3/B LEU 72 20聚体2.pdb #3/B LEU 72 20聚体2.pdb #3/B LEU 72 20聚体2.pdb #3/B LEU 72 20聚体2.pdb #3/B GLU 74 20聚体2.pdb #3/B GLU 74 20聚体2.pdb #3/B GLU 74 20聚体2.pdb #3/B GLU 74 20聚体2.pdb #3/B LYS 79 20聚体2.pdb #3/B LYS 79 20聚体2.pdb #3/B LYS 79 20聚体2.pdb #3/B LYS 79 20聚体2.pdb #3/B ILE 80 20聚体2.pdb #3/B ILE 80 20聚体2.pdb #3/B ILE 80 20聚体2.pdb #3/B ILE 80 20聚体2.pdb #3/B GLU 82 20聚体2.pdb #3/B GLU 82 20聚体2.pdb #3/B GLU 82 20聚体2.pdb #3/B GLU 82 20聚体2.pdb #3/B VAL 236 20聚体2.pdb #3/B VAL 236 20聚体2.pdb #3/B VAL 236 20聚体2.pdb #3/B VAL 236 20聚体2.pdb #3/B ASP 237 20聚体2.pdb #3/B ASP 237 20聚体2.pdb #3/B ASP 237 20聚体2.pdb #3/B ASP 237 20聚体2.pdb #3/B PHE 238 20聚体2.pdb #3/B PHE 238 20聚体2.pdb #3/B PHE 238 20聚体2.pdb #3/B PHE 238 20聚体2.pdb #3/B ARG 241 20聚体2.pdb #3/B ARG 241 20聚体2.pdb #3/B ARG 241 20聚体2.pdb #3/B ARG 241 20聚体2.pdb #3/B GLU 243 20聚体2.pdb #3/B GLU 243 20聚体2.pdb #3/B GLU 243 20聚体2.pdb #3/B GLU 243 20聚体2.pdb #3/B ARG 247 20聚体2.pdb #3/B ARG 247 20聚体2.pdb #3/B ARG 247 20聚体2.pdb #3/B ARG 247 20聚体2.pdb #3/B GLN 249 20聚体2.pdb #3/B GLN 249 20聚体2.pdb #3/B GLN 249 20聚体2.pdb #3/B GLN 249 20聚体2.pdb #3/B LYS 289 20聚体2.pdb #3/B LYS 289 20聚体2.pdb #3/B LYS 289 20聚体2.pdb #3/B LYS 289 20聚体2.pdb #3/B LYS 290 20聚体2.pdb #3/B LYS 290 20聚体2.pdb #3/B LYS 290 20聚体2.pdb #3/B LYS 290 20聚体2.pdb #3/B HIS 295 20聚体2.pdb #3/B HIS 295 20聚体2.pdb #3/B HIS 295 20聚体2.pdb #3/B HIS 295 20聚体2.pdb #3/B LYS 311 20聚体2.pdb #3/B LYS 311 20聚体2.pdb #3/B LYS 311 20聚体2.pdb #3/B LYS 311 20聚体2.pdb #3/B ASP 313 20聚体2.pdb #3/B ASP 313 20聚体2.pdb #3/B ASP 313 20聚体2.pdb #3/B ASP 313 20聚体2.pdb #3/C LEU 34 20聚体2.pdb #3/C LEU 34 20聚体2.pdb #3/C LEU 34 20聚体2.pdb #3/C LEU 34 20聚体2.pdb #3/C ILE 35 20聚体2.pdb #3/C ILE 35 20聚体2.pdb #3/C ILE 35 20聚体2.pdb #3/C ILE 35 20聚体2.pdb #3/C ASN 40 20聚体2.pdb #3/C ASN 40 20聚体2.pdb #3/C ASN 40 20聚体2.pdb #3/C ASN 40 20聚体2.pdb #3/C VAL 44 20聚体2.pdb #3/C VAL 44 20聚体2.pdb #3/C VAL 44 20聚体2.pdb #3/C VAL 44 20聚体2.pdb #3/C LYS 45 20聚体2.pdb #3/C LYS 45 20聚体2.pdb #3/C LYS 45 20聚体2.pdb #3/C LYS 45 20聚体2.pdb #3/C LYS 46 20聚体2.pdb #3/C LYS 46 20聚体2.pdb #3/C LYS 46 20聚体2.pdb #3/C LYS 46 20聚体2.pdb #3/C LEU 47 20聚体2.pdb #3/C LEU 47 20聚体2.pdb #3/C LEU 47 20聚体2.pdb #3/C LEU 47 20聚体2.pdb #3/C GLN 48 20聚体2.pdb #3/C GLN 48 20聚体2.pdb #3/C GLN 48 20聚体2.pdb #3/C GLN 48 20聚体2.pdb #3/C GLU 49 20聚体2.pdb #3/C GLU 49 20聚体2.pdb #3/C GLU 49 20聚体2.pdb #3/C GLU 49 20聚体2.pdb #3/C LYS 64 20聚体2.pdb #3/C LYS 64 20聚体2.pdb #3/C LYS 64 20聚体2.pdb #3/C LYS 64 20聚体2.pdb #3/C LYS 70 20聚体2.pdb #3/C LYS 70 20聚体2.pdb #3/C LYS 70 20聚体2.pdb #3/C LYS 70 20聚体2.pdb #3/C GLU 74 20聚体2.pdb #3/C GLU 74 20聚体2.pdb #3/C GLU 74 20聚体2.pdb #3/C GLU 74 20聚体2.pdb #3/C LYS 76 20聚体2.pdb #3/C LYS 76 20聚体2.pdb #3/C LYS 76 20聚体2.pdb #3/C LYS 76 20聚体2.pdb #3/C ILE 80 20聚体2.pdb #3/C ILE 80 20聚体2.pdb #3/C ILE 80 20聚体2.pdb #3/C ILE 80 20聚体2.pdb #3/C GLU 82 20聚体2.pdb #3/C GLU 82 20聚体2.pdb #3/C GLU 82 20聚体2.pdb #3/C GLU 82 20聚体2.pdb #3/C GLU 85 20聚体2.pdb #3/C GLU 85 20聚体2.pdb #3/C GLU 85 20聚体2.pdb #3/C GLU 85 20聚体2.pdb #3/C LYS 216 20聚体2.pdb #3/C LYS 216 20聚体2.pdb #3/C LYS 216 20聚体2.pdb #3/C LYS 216 20聚体2.pdb #3/C VAL 236 20聚体2.pdb #3/C VAL 236 20聚体2.pdb #3/C VAL 236 20聚体2.pdb #3/C VAL 236 20聚体2.pdb #3/C ASP 237 20聚体2.pdb #3/C ASP 237 20聚体2.pdb #3/C ASP 237 20聚体2.pdb #3/C ASP 237 20聚体2.pdb #3/C PHE 238 20聚体2.pdb #3/C PHE 238 20聚体2.pdb #3/C PHE 238 20聚体2.pdb #3/C PHE 238 20聚体2.pdb #3/C ARG 241 20聚体2.pdb #3/C ARG 241 20聚体2.pdb #3/C ARG 241 20聚体2.pdb #3/C ARG 241 20聚体2.pdb #3/C GLU 243 20聚体2.pdb #3/C GLU 243 20聚体2.pdb #3/C GLU 243 20聚体2.pdb #3/C GLU 243 20聚体2.pdb #3/C LYS 289 20聚体2.pdb #3/C LYS 289 20聚体2.pdb #3/C LYS 289 20聚体2.pdb #3/C LYS 289 20聚体2.pdb #3/C LYS 290 20聚体2.pdb #3/C LYS 290 20聚体2.pdb #3/C LYS 290 20聚体2.pdb #3/C LYS 290 20聚体2.pdb #3/C HIS 295 20聚体2.pdb #3/C HIS 295 20聚体2.pdb #3/C HIS 295 20聚体2.pdb #3/C HIS 295 20聚体2.pdb #3/C LYS 311 20聚体2.pdb #3/C LYS 311 20聚体2.pdb #3/C LYS 311 20聚体2.pdb #3/C LYS 311 20聚体2.pdb #3/C ASP 313 20聚体2.pdb #3/C ASP 313 20聚体2.pdb #3/C ASP 313 20聚体2.pdb #3/C ASP 313 20聚体2.pdb #3/C LYS 343 20聚体2.pdb #3/C LYS 343 20聚体2.pdb #3/C LYS 343 20聚体2.pdb #3/C LYS 343 20聚体2.pdb #3/D LEU 34 20聚体2.pdb #3/D LEU 34 20聚体2.pdb #3/D LEU 34 20聚体2.pdb #3/D LEU 34 20聚体2.pdb #3/D ILE 35 20聚体2.pdb #3/D ILE 35 20聚体2.pdb #3/D ILE 35 20聚体2.pdb #3/D ILE 35 20聚体2.pdb #3/D GLN 37 20聚体2.pdb #3/D GLN 37 20聚体2.pdb #3/D GLN 37 20聚体2.pdb #3/D GLN 37 20聚体2.pdb #3/D VAL 44 20聚体2.pdb #3/D VAL 44 20聚体2.pdb #3/D VAL 44 20聚体2.pdb #3/D VAL 44 20聚体2.pdb #3/D LYS 45 20聚体2.pdb #3/D LYS 45 20聚体2.pdb #3/D LYS 45 20聚体2.pdb #3/D LYS 45 20聚体2.pdb #3/D GLU 49 20聚体2.pdb #3/D GLU 49 20聚体2.pdb #3/D GLU 49 20聚体2.pdb #3/D GLU 49 20聚体2.pdb #3/D LYS 70 20聚体2.pdb #3/D LYS 70 20聚体2.pdb #3/D LYS 70 20聚体2.pdb #3/D LYS 70 20聚体2.pdb #3/D SER 73 20聚体2.pdb #3/D SER 73 20聚体2.pdb #3/D SER 73 20聚体2.pdb #3/D SER 73 20聚体2.pdb #3/D GLU 74 20聚体2.pdb #3/D GLU 74 20聚体2.pdb #3/D GLU 74 20聚体2.pdb #3/D GLU 74 20聚体2.pdb #3/D LYS 76 20聚体2.pdb #3/D LYS 76 20聚体2.pdb #3/D LYS 76 20聚体2.pdb #3/D LYS 76 20聚体2.pdb #3/D VAL 77 20聚体2.pdb #3/D VAL 77 20聚体2.pdb #3/D VAL 77 20聚体2.pdb #3/D VAL 77 20聚体2.pdb #3/D LYS 79 20聚体2.pdb #3/D LYS 79 20聚体2.pdb #3/D LYS 79 20聚体2.pdb #3/D LYS 79 20聚体2.pdb #3/D ILE 80 20聚体2.pdb #3/D ILE 80 20聚体2.pdb #3/D ILE 80 20聚体2.pdb #3/D ILE 80 20聚体2.pdb #3/D LYS 86 20聚体2.pdb #3/D LYS 86 20聚体2.pdb #3/D LYS 86 20聚体2.pdb #3/D LYS 86 20聚体2.pdb #3/D VAL 236 20聚体2.pdb #3/D VAL 236 20聚体2.pdb #3/D VAL 236 20聚体2.pdb #3/D VAL 236 20聚体2.pdb #3/D ASP 237 20聚体2.pdb #3/D ASP 237 20聚体2.pdb #3/D ASP 237 20聚体2.pdb #3/D ASP 237 20聚体2.pdb #3/D PHE 238 20聚体2.pdb #3/D PHE 238 20聚体2.pdb #3/D PHE 238 20聚体2.pdb #3/D PHE 238 20聚体2.pdb #3/D THR 239 20聚体2.pdb #3/D THR 239 20聚体2.pdb #3/D THR 239 20聚体2.pdb #3/D THR 239 20聚体2.pdb #3/D ARG 241 20聚体2.pdb #3/D ARG 241 20聚体2.pdb #3/D ARG 241 20聚体2.pdb #3/D ARG 241 20聚体2.pdb #3/D GLU 243 20聚体2.pdb #3/D GLU 243 20聚体2.pdb #3/D GLU 243 20聚体2.pdb #3/D GLU 243 20聚体2.pdb #3/D HIS 295 20聚体2.pdb #3/D HIS 295 20聚体2.pdb #3/D HIS 295 20聚体2.pdb #3/D HIS 295 20聚体2.pdb #3/D LYS 309 20聚体2.pdb #3/D LYS 309 20聚体2.pdb #3/D LYS 309 20聚体2.pdb #3/D LYS 309 20聚体2.pdb #3/D LYS 311 20聚体2.pdb #3/D LYS 311 20聚体2.pdb #3/D LYS 311 20聚体2.pdb #3/D LYS 311 20聚体2.pdb #3/D ASP 313 20聚体2.pdb #3/D ASP 313 20聚体2.pdb #3/D ASP 313 20聚体2.pdb #3/D ASP 313 20聚体2.pdb #3/D ASN 324 20聚体2.pdb #3/D ASN 324 20聚体2.pdb #3/D ASN 324 20聚体2.pdb #3/D ASN 324 Traceback (most recent call last): File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/toolbar/tool.py", line 215, in callback bundle_info.run_provider(session, name, session.toolbar, display_name=display_name) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/toolshed/info.py", line 397, in run_provider return api._api_caller.run_provider(api, session, name, mgr, **kw) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/toolshed/__init__.py", line 1419, in run_provider return cls._get_func(api, "run_provider")(session, name, mgr, **kw) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/shortcuts/__init__.py", line 66, in run_provider shortcuts.run_provider(session, name) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/shortcuts/shortcuts.py", line 1386, in run_provider keyboard_shortcuts(session).try_shortcut(name) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/shortcuts/shortcuts.py", line 402, in try_shortcut self.run_shortcut(keys) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/shortcuts/shortcuts.py", line 420, in run_shortcut sc.run(self.session, status = self._enabled) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/shortcuts/shortcuts.py", line 339, in run f(s) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/shortcuts/shortcuts.py", line 72, in func_plus_tip func(cmd + " %s")(session) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/shortcuts/shortcuts.py", line 593, in run_expanded_command run(session, cmd) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/shortcuts/shortcuts.py", line 536, in run run_command(session, command, **kw) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/commands/run.py", line 49, in run results = command.run(text, log=log, return_json=return_json) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/commands/cli.py", line 3213, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/coulombic/cmd.py", line 102, in cmd_coulombic assign_charges(session, needs_assignment, his_scheme, charge_method, File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/coulombic/coulombic.py", line 95, in assign_charges cmd_addh(session, addh_structures, hbond=hbond) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/addh/cmd.py", line 77, in cmd_addh add_h_func(session, structures, template=template, in_isolation=in_isolation, **prot_schemes) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/addh/cmd.py", line 184, in hbond_add_hydrogens add_hydrogens(session, atoms, type_info_for_atom, naming_schemas, hydrogen_totals, File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/addh/hbond.py", line 259, in add_hydrogens hbonds = find_hbonds(session, s_list, dist_slop=rec_dist_slop, angle_slop=rec_angle_slop) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/hbonds/hbond.py", line 585, in find_hbonds donor_hyds = hyd_positions(donor_atom) ^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/hbonds/hydpos.py", line 77, in hyd_positions bond_positions(heavy_loc, geom, bond_len, bonded_locs, coplanar=coplanar)) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/atomic/bond_geom.py", line 84, in bond_positions return planar_pos(bondee, bonded, bond_len, coplanar, toward, away, toward2, away2) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/atomic/bond_geom.py", line 140, in planar_pos pos = angle_pos(bondee, cur_bonded[0], bond_len, 120.0, coplanar) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/atomic/bond_geom.py", line 242, in angle_pos raise ValueError("More than 2 coplanar positions specified!") ValueError: More than 2 coplanar positions specified! ValueError: More than 2 coplanar positions specified! File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/atomic/bond_geom.py", line 242, in angle_pos raise ValueError("More than 2 coplanar positions specified!") See log for complete Python traceback. > coulombic #!3 The following residues are missing heavy (non-hydrogen) atoms, which may result in inaccurate electrostatics: 20聚体2.pdb #3/A VAL 44 20聚体2.pdb #3/A VAL 44 20聚体2.pdb #3/A VAL 44 20聚体2.pdb #3/A VAL 44 20聚体2.pdb #3/A LYS 45 20聚体2.pdb #3/A LYS 45 20聚体2.pdb #3/A LYS 45 20聚体2.pdb #3/A LYS 45 20聚体2.pdb #3/A LYS 70 20聚体2.pdb #3/A LYS 70 20聚体2.pdb #3/A LYS 70 20聚体2.pdb #3/A LYS 70 20聚体2.pdb #3/A GLU 82 20聚体2.pdb #3/A GLU 82 20聚体2.pdb #3/A GLU 82 20聚体2.pdb #3/A GLU 82 20聚体2.pdb #3/A ARG 136 20聚体2.pdb #3/A ARG 136 20聚体2.pdb #3/A ARG 136 20聚体2.pdb #3/A ARG 136 20聚体2.pdb #3/A ARG 235 20聚体2.pdb #3/A ARG 235 20聚体2.pdb #3/A ARG 235 20聚体2.pdb #3/A ARG 235 20聚体2.pdb #3/A ASP 237 20聚体2.pdb #3/A ASP 237 20聚体2.pdb #3/A ASP 237 20聚体2.pdb #3/A ASP 237 20聚体2.pdb #3/A PHE 238 20聚体2.pdb #3/A PHE 238 20聚体2.pdb #3/A PHE 238 20聚体2.pdb #3/A PHE 238 20聚体2.pdb #3/A LEU 244 20聚体2.pdb #3/A LEU 244 20聚体2.pdb #3/A LEU 244 20聚体2.pdb #3/A LEU 244 20聚体2.pdb #3/A ASP 246 20聚体2.pdb #3/A ASP 246 20聚体2.pdb #3/A ASP 246 20聚体2.pdb #3/A ASP 246 20聚体2.pdb #3/A ARG 247 20聚体2.pdb #3/A ARG 247 20聚体2.pdb #3/A ARG 247 20聚体2.pdb #3/A ARG 247 20聚体2.pdb #3/A GLN 248 20聚体2.pdb #3/A GLN 248 20聚体2.pdb #3/A GLN 248 20聚体2.pdb #3/A GLN 248 20聚体2.pdb #3/A LYS 250 20聚体2.pdb #3/A LYS 250 20聚体2.pdb #3/A LYS 250 20聚体2.pdb #3/A LYS 250 20聚体2.pdb #3/A ASP 287 20聚体2.pdb #3/A ASP 287 20聚体2.pdb #3/A ASP 287 20聚体2.pdb #3/A ASP 287 20聚体2.pdb #3/A LYS 289 20聚体2.pdb #3/A LYS 289 20聚体2.pdb #3/A LYS 289 20聚体2.pdb #3/A LYS 289 20聚体2.pdb #3/A LYS 290 20聚体2.pdb #3/A LYS 290 20聚体2.pdb #3/A LYS 290 20聚体2.pdb #3/A LYS 290 20聚体2.pdb #3/A HIS 295 20聚体2.pdb #3/A HIS 295 20聚体2.pdb #3/A HIS 295 20聚体2.pdb #3/A HIS 295 20聚体2.pdb #3/A LYS 311 20聚体2.pdb #3/A LYS 311 20聚体2.pdb #3/A LYS 311 20聚体2.pdb #3/A LYS 311 20聚体2.pdb #3/A LYS 343 20聚体2.pdb #3/A LYS 343 20聚体2.pdb #3/A LYS 343 20聚体2.pdb #3/A LYS 343 20聚体2.pdb #3/B LEU 34 20聚体2.pdb #3/B LEU 34 20聚体2.pdb #3/B LEU 34 20聚体2.pdb #3/B LEU 34 20聚体2.pdb #3/B LYS 45 20聚体2.pdb #3/B LYS 45 20聚体2.pdb #3/B LYS 45 20聚体2.pdb #3/B LYS 45 20聚体2.pdb #3/B GLU 49 20聚体2.pdb #3/B GLU 49 20聚体2.pdb #3/B GLU 49 20聚体2.pdb #3/B GLU 49 20聚体2.pdb #3/B LYS 70 20聚体2.pdb #3/B LYS 70 20聚体2.pdb #3/B LYS 70 20聚体2.pdb #3/B LYS 70 20聚体2.pdb #3/B LEU 72 20聚体2.pdb #3/B LEU 72 20聚体2.pdb #3/B LEU 72 20聚体2.pdb #3/B LEU 72 20聚体2.pdb #3/B GLU 74 20聚体2.pdb #3/B GLU 74 20聚体2.pdb #3/B GLU 74 20聚体2.pdb #3/B GLU 74 20聚体2.pdb #3/B LYS 79 20聚体2.pdb #3/B LYS 79 20聚体2.pdb #3/B LYS 79 20聚体2.pdb #3/B LYS 79 20聚体2.pdb #3/B ILE 80 20聚体2.pdb #3/B ILE 80 20聚体2.pdb #3/B ILE 80 20聚体2.pdb #3/B ILE 80 20聚体2.pdb #3/B GLU 82 20聚体2.pdb #3/B GLU 82 20聚体2.pdb #3/B GLU 82 20聚体2.pdb #3/B GLU 82 20聚体2.pdb #3/B VAL 236 20聚体2.pdb #3/B VAL 236 20聚体2.pdb #3/B VAL 236 20聚体2.pdb #3/B VAL 236 20聚体2.pdb #3/B ASP 237 20聚体2.pdb #3/B ASP 237 20聚体2.pdb #3/B ASP 237 20聚体2.pdb #3/B ASP 237 20聚体2.pdb #3/B PHE 238 20聚体2.pdb #3/B PHE 238 20聚体2.pdb #3/B PHE 238 20聚体2.pdb #3/B PHE 238 20聚体2.pdb #3/B ARG 241 20聚体2.pdb #3/B ARG 241 20聚体2.pdb #3/B ARG 241 20聚体2.pdb #3/B ARG 241 20聚体2.pdb #3/B GLU 243 20聚体2.pdb #3/B GLU 243 20聚体2.pdb #3/B GLU 243 20聚体2.pdb #3/B GLU 243 20聚体2.pdb #3/B ARG 247 20聚体2.pdb #3/B ARG 247 20聚体2.pdb #3/B ARG 247 20聚体2.pdb #3/B ARG 247 20聚体2.pdb #3/B GLN 249 20聚体2.pdb #3/B GLN 249 20聚体2.pdb #3/B GLN 249 20聚体2.pdb #3/B GLN 249 20聚体2.pdb #3/B LYS 289 20聚体2.pdb #3/B LYS 289 20聚体2.pdb #3/B LYS 289 20聚体2.pdb #3/B LYS 289 20聚体2.pdb #3/B LYS 290 20聚体2.pdb #3/B LYS 290 20聚体2.pdb #3/B LYS 290 20聚体2.pdb #3/B LYS 290 20聚体2.pdb #3/B HIS 295 20聚体2.pdb #3/B HIS 295 20聚体2.pdb #3/B HIS 295 20聚体2.pdb #3/B HIS 295 20聚体2.pdb #3/B LYS 311 20聚体2.pdb #3/B LYS 311 20聚体2.pdb #3/B LYS 311 20聚体2.pdb #3/B LYS 311 20聚体2.pdb #3/B ASP 313 20聚体2.pdb #3/B ASP 313 20聚体2.pdb #3/B ASP 313 20聚体2.pdb #3/B ASP 313 20聚体2.pdb #3/C LEU 34 20聚体2.pdb #3/C LEU 34 20聚体2.pdb #3/C LEU 34 20聚体2.pdb #3/C LEU 34 20聚体2.pdb #3/C ILE 35 20聚体2.pdb #3/C ILE 35 20聚体2.pdb #3/C ILE 35 20聚体2.pdb #3/C ILE 35 20聚体2.pdb #3/C ASN 40 20聚体2.pdb #3/C ASN 40 20聚体2.pdb #3/C ASN 40 20聚体2.pdb #3/C ASN 40 20聚体2.pdb #3/C VAL 44 20聚体2.pdb #3/C VAL 44 20聚体2.pdb #3/C VAL 44 20聚体2.pdb #3/C VAL 44 20聚体2.pdb #3/C LYS 45 20聚体2.pdb #3/C LYS 45 20聚体2.pdb #3/C LYS 45 20聚体2.pdb #3/C LYS 45 20聚体2.pdb #3/C LYS 46 20聚体2.pdb #3/C LYS 46 20聚体2.pdb #3/C LYS 46 20聚体2.pdb #3/C LYS 46 20聚体2.pdb #3/C LEU 47 20聚体2.pdb #3/C LEU 47 20聚体2.pdb #3/C LEU 47 20聚体2.pdb #3/C LEU 47 20聚体2.pdb #3/C GLN 48 20聚体2.pdb #3/C GLN 48 20聚体2.pdb #3/C GLN 48 20聚体2.pdb #3/C GLN 48 20聚体2.pdb #3/C GLU 49 20聚体2.pdb #3/C GLU 49 20聚体2.pdb #3/C GLU 49 20聚体2.pdb #3/C GLU 49 20聚体2.pdb #3/C LYS 64 20聚体2.pdb #3/C LYS 64 20聚体2.pdb #3/C LYS 64 20聚体2.pdb #3/C LYS 64 20聚体2.pdb #3/C LYS 70 20聚体2.pdb #3/C LYS 70 20聚体2.pdb #3/C LYS 70 20聚体2.pdb #3/C LYS 70 20聚体2.pdb #3/C GLU 74 20聚体2.pdb #3/C GLU 74 20聚体2.pdb #3/C GLU 74 20聚体2.pdb #3/C GLU 74 20聚体2.pdb #3/C LYS 76 20聚体2.pdb #3/C LYS 76 20聚体2.pdb #3/C LYS 76 20聚体2.pdb #3/C LYS 76 20聚体2.pdb #3/C ILE 80 20聚体2.pdb #3/C ILE 80 20聚体2.pdb #3/C ILE 80 20聚体2.pdb #3/C ILE 80 20聚体2.pdb #3/C GLU 82 20聚体2.pdb #3/C GLU 82 20聚体2.pdb #3/C GLU 82 20聚体2.pdb #3/C GLU 82 20聚体2.pdb #3/C GLU 85 20聚体2.pdb #3/C GLU 85 20聚体2.pdb #3/C GLU 85 20聚体2.pdb #3/C GLU 85 20聚体2.pdb #3/C LYS 216 20聚体2.pdb #3/C LYS 216 20聚体2.pdb #3/C LYS 216 20聚体2.pdb #3/C LYS 216 20聚体2.pdb #3/C VAL 236 20聚体2.pdb #3/C VAL 236 20聚体2.pdb #3/C VAL 236 20聚体2.pdb #3/C VAL 236 20聚体2.pdb #3/C ASP 237 20聚体2.pdb #3/C ASP 237 20聚体2.pdb #3/C ASP 237 20聚体2.pdb #3/C ASP 237 20聚体2.pdb #3/C PHE 238 20聚体2.pdb #3/C PHE 238 20聚体2.pdb #3/C PHE 238 20聚体2.pdb #3/C PHE 238 20聚体2.pdb #3/C ARG 241 20聚体2.pdb #3/C ARG 241 20聚体2.pdb #3/C ARG 241 20聚体2.pdb #3/C ARG 241 20聚体2.pdb #3/C GLU 243 20聚体2.pdb #3/C GLU 243 20聚体2.pdb #3/C GLU 243 20聚体2.pdb #3/C GLU 243 20聚体2.pdb #3/C LYS 289 20聚体2.pdb #3/C LYS 289 20聚体2.pdb #3/C LYS 289 20聚体2.pdb #3/C LYS 289 20聚体2.pdb #3/C LYS 290 20聚体2.pdb #3/C LYS 290 20聚体2.pdb #3/C LYS 290 20聚体2.pdb #3/C LYS 290 20聚体2.pdb #3/C HIS 295 20聚体2.pdb #3/C HIS 295 20聚体2.pdb #3/C HIS 295 20聚体2.pdb #3/C HIS 295 20聚体2.pdb #3/C LYS 311 20聚体2.pdb #3/C LYS 311 20聚体2.pdb #3/C LYS 311 20聚体2.pdb #3/C LYS 311 20聚体2.pdb #3/C ASP 313 20聚体2.pdb #3/C ASP 313 20聚体2.pdb #3/C ASP 313 20聚体2.pdb #3/C ASP 313 20聚体2.pdb #3/C LYS 343 20聚体2.pdb #3/C LYS 343 20聚体2.pdb #3/C LYS 343 20聚体2.pdb #3/C LYS 343 20聚体2.pdb #3/D LEU 34 20聚体2.pdb #3/D LEU 34 20聚体2.pdb #3/D LEU 34 20聚体2.pdb #3/D LEU 34 20聚体2.pdb #3/D ILE 35 20聚体2.pdb #3/D ILE 35 20聚体2.pdb #3/D ILE 35 20聚体2.pdb #3/D ILE 35 20聚体2.pdb #3/D GLN 37 20聚体2.pdb #3/D GLN 37 20聚体2.pdb #3/D GLN 37 20聚体2.pdb #3/D GLN 37 20聚体2.pdb #3/D VAL 44 20聚体2.pdb #3/D VAL 44 20聚体2.pdb #3/D VAL 44 20聚体2.pdb #3/D VAL 44 20聚体2.pdb #3/D LYS 45 20聚体2.pdb #3/D LYS 45 20聚体2.pdb #3/D LYS 45 20聚体2.pdb #3/D LYS 45 20聚体2.pdb #3/D GLU 49 20聚体2.pdb #3/D GLU 49 20聚体2.pdb #3/D GLU 49 20聚体2.pdb #3/D GLU 49 20聚体2.pdb #3/D LYS 70 20聚体2.pdb #3/D LYS 70 20聚体2.pdb #3/D LYS 70 20聚体2.pdb #3/D LYS 70 20聚体2.pdb #3/D SER 73 20聚体2.pdb #3/D SER 73 20聚体2.pdb #3/D SER 73 20聚体2.pdb #3/D SER 73 20聚体2.pdb #3/D GLU 74 20聚体2.pdb #3/D GLU 74 20聚体2.pdb #3/D GLU 74 20聚体2.pdb #3/D GLU 74 20聚体2.pdb #3/D LYS 76 20聚体2.pdb #3/D LYS 76 20聚体2.pdb #3/D LYS 76 20聚体2.pdb #3/D LYS 76 20聚体2.pdb #3/D VAL 77 20聚体2.pdb #3/D VAL 77 20聚体2.pdb #3/D VAL 77 20聚体2.pdb #3/D VAL 77 20聚体2.pdb #3/D LYS 79 20聚体2.pdb #3/D LYS 79 20聚体2.pdb #3/D LYS 79 20聚体2.pdb #3/D LYS 79 20聚体2.pdb #3/D ILE 80 20聚体2.pdb #3/D ILE 80 20聚体2.pdb #3/D ILE 80 20聚体2.pdb #3/D ILE 80 20聚体2.pdb #3/D LYS 86 20聚体2.pdb #3/D LYS 86 20聚体2.pdb #3/D LYS 86 20聚体2.pdb #3/D LYS 86 20聚体2.pdb #3/D VAL 236 20聚体2.pdb #3/D VAL 236 20聚体2.pdb #3/D VAL 236 20聚体2.pdb #3/D VAL 236 20聚体2.pdb #3/D ASP 237 20聚体2.pdb #3/D ASP 237 20聚体2.pdb #3/D ASP 237 20聚体2.pdb #3/D ASP 237 20聚体2.pdb #3/D PHE 238 20聚体2.pdb #3/D PHE 238 20聚体2.pdb #3/D PHE 238 20聚体2.pdb #3/D PHE 238 20聚体2.pdb #3/D THR 239 20聚体2.pdb #3/D THR 239 20聚体2.pdb #3/D THR 239 20聚体2.pdb #3/D THR 239 20聚体2.pdb #3/D ARG 241 20聚体2.pdb #3/D ARG 241 20聚体2.pdb #3/D ARG 241 20聚体2.pdb #3/D ARG 241 20聚体2.pdb #3/D GLU 243 20聚体2.pdb #3/D GLU 243 20聚体2.pdb #3/D GLU 243 20聚体2.pdb #3/D GLU 243 20聚体2.pdb #3/D HIS 295 20聚体2.pdb #3/D HIS 295 20聚体2.pdb #3/D HIS 295 20聚体2.pdb #3/D HIS 295 20聚体2.pdb #3/D LYS 309 20聚体2.pdb #3/D LYS 309 20聚体2.pdb #3/D LYS 309 20聚体2.pdb #3/D LYS 309 20聚体2.pdb #3/D LYS 311 20聚体2.pdb #3/D LYS 311 20聚体2.pdb #3/D LYS 311 20聚体2.pdb #3/D LYS 311 20聚体2.pdb #3/D ASP 313 20聚体2.pdb #3/D ASP 313 20聚体2.pdb #3/D ASP 313 20聚体2.pdb #3/D ASP 313 20聚体2.pdb #3/D ASN 324 20聚体2.pdb #3/D ASN 324 20聚体2.pdb #3/D ASN 324 20聚体2.pdb #3/D ASN 324 Traceback (most recent call last): File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/toolbar/tool.py", line 215, in callback bundle_info.run_provider(session, name, session.toolbar, display_name=display_name) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/toolshed/info.py", line 397, in run_provider return api._api_caller.run_provider(api, session, name, mgr, **kw) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/toolshed/__init__.py", line 1419, in run_provider return cls._get_func(api, "run_provider")(session, name, mgr, **kw) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/shortcuts/__init__.py", line 66, in run_provider shortcuts.run_provider(session, name) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/shortcuts/shortcuts.py", line 1386, in run_provider keyboard_shortcuts(session).try_shortcut(name) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/shortcuts/shortcuts.py", line 402, in try_shortcut self.run_shortcut(keys) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/shortcuts/shortcuts.py", line 420, in run_shortcut sc.run(self.session, status = self._enabled) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/shortcuts/shortcuts.py", line 339, in run f(s) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/shortcuts/shortcuts.py", line 72, in func_plus_tip func(cmd + " %s")(session) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/shortcuts/shortcuts.py", line 593, in run_expanded_command run(session, cmd) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/shortcuts/shortcuts.py", line 536, in run run_command(session, command, **kw) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/commands/run.py", line 49, in run results = command.run(text, log=log, return_json=return_json) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/commands/cli.py", line 3213, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/coulombic/cmd.py", line 102, in cmd_coulombic assign_charges(session, needs_assignment, his_scheme, charge_method, File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/coulombic/coulombic.py", line 95, in assign_charges cmd_addh(session, addh_structures, hbond=hbond) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/addh/cmd.py", line 77, in cmd_addh add_h_func(session, structures, template=template, in_isolation=in_isolation, **prot_schemes) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/addh/cmd.py", line 184, in hbond_add_hydrogens add_hydrogens(session, atoms, type_info_for_atom, naming_schemas, hydrogen_totals, File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/addh/hbond.py", line 259, in add_hydrogens hbonds = find_hbonds(session, s_list, dist_slop=rec_dist_slop, angle_slop=rec_angle_slop) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/hbonds/hbond.py", line 585, in find_hbonds donor_hyds = hyd_positions(donor_atom) ^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/hbonds/hydpos.py", line 77, in hyd_positions bond_positions(heavy_loc, geom, bond_len, bonded_locs, coplanar=coplanar)) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/atomic/bond_geom.py", line 84, in bond_positions return planar_pos(bondee, bonded, bond_len, coplanar, toward, away, toward2, away2) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/atomic/bond_geom.py", line 140, in planar_pos pos = angle_pos(bondee, cur_bonded[0], bond_len, 120.0, coplanar) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/atomic/bond_geom.py", line 242, in angle_pos raise ValueError("More than 2 coplanar positions specified!") ValueError: More than 2 coplanar positions specified! ValueError: More than 2 coplanar positions specified! File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/atomic/bond_geom.py", line 242, in angle_pos raise ValueError("More than 2 coplanar positions specified!") See log for complete Python traceback. OpenGL version: 4.1 Metal - 89.4 OpenGL renderer: Apple M1 OpenGL vendor: Apple Python: 3.11.4 Locale: en_US.UTF-8 Qt version: PyQt6 6.7.1, Qt 6.7.1 Qt runtime version: 6.7.3 Qt platform: cocoa Hardware: Hardware Overview: Model Name: iMac Model Identifier: iMac21,1 Model Number: Z12R0002RCH/A Chip: Apple M1 Total Number of Cores: 8 (4 performance and 4 efficiency) Memory: 8 GB System Firmware Version: 11881.140.96 OS Loader Version: 11881.140.96 Software: System Software Overview: System Version: macOS 15.6.1 (24G90) Kernel Version: Darwin 24.6.0 Time since boot: 16 days, 4 hours, 17 minutes Graphics/Displays: Apple M1: Chipset Model: Apple M1 Type: GPU Bus: Built-In Total Number of Cores: 8 Vendor: Apple (0x106b) Metal Support: Metal 3 Displays: iMac: Display Type: Built-In Retina LCD Resolution: Retina 4.5K (4480 x 2520) Main Display: Yes Mirror: Off Online: Yes Automatically Adjust Brightness: Yes Connection Type: Internal Installed Packages: alabaster: 1.0.0 anyio: 4.7.0 appdirs: 1.4.4 appnope: 0.1.4 asttokens: 3.0.0 auditwheel: 6.1.0 babel: 2.16.0 beautifulsoup4: 4.12.3 blockdiag: 3.0.0 blosc2: 3.0.0 build: 1.2.1 certifi: 2023.11.17 cftime: 1.6.4.post1 charset-normalizer: 3.4.0 ChimeraX-AddCharge: 1.5.18 ChimeraX-AddH: 2.2.6 ChimeraX-AlignmentAlgorithms: 2.0.2 ChimeraX-AlignmentHdrs: 3.5 ChimeraX-AlignmentMatrices: 2.1 ChimeraX-Alignments: 2.16.1 ChimeraX-AlphaFold: 1.0.1 ChimeraX-AltlocExplorer: 1.1.2 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.1 ChimeraX-Atomic: 1.58.8 ChimeraX-AtomicLibrary: 14.1.11 ChimeraX-AtomSearch: 2.0.1 ChimeraX-AxesPlanes: 2.4 ChimeraX-BasicActions: 1.1.2 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 3.0.0 ChimeraX-BondRot: 2.0.4 ChimeraX-BugReporter: 1.0.1 ChimeraX-BuildStructure: 2.13.1 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.4.0 ChimeraX-ButtonPanel: 1.0.1 ChimeraX-CageBuilder: 1.0.1 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.4 ChimeraX-ChangeChains: 1.1 ChimeraX-CheckWaters: 1.4 ChimeraX-ChemGroup: 2.0.1 ChimeraX-Clashes: 2.3 ChimeraX-ColorActions: 1.0.5 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5.6 ChimeraX-CommandLine: 1.2.5 ChimeraX-ConnectStructure: 2.0.1 ChimeraX-Contacts: 1.0.1 ChimeraX-Core: 1.9 ChimeraX-CoreFormats: 1.2 ChimeraX-coulombic: 1.4.4 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0.1 ChimeraX-DataFormats: 1.2.3 ChimeraX-Dicom: 1.2.6 ChimeraX-DistMonitor: 1.4.2 ChimeraX-DockPrep: 1.1.3 ChimeraX-Dssp: 2.0 ChimeraX-EMDB-SFF: 1.0 ChimeraX-ESMFold: 1.0 ChimeraX-FileHistory: 1.0.1 ChimeraX-FunctionKey: 1.0.1 ChimeraX-Geometry: 1.3 ChimeraX-gltf: 1.0 ChimeraX-Graphics: 1.4.1 ChimeraX-Hbonds: 2.5 ChimeraX-Help: 1.3 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.1 ChimeraX-ImageFormats: 1.2 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.3 ChimeraX-ItemsInspection: 1.0.1 ChimeraX-IUPAC: 1.0 ChimeraX-KVFinder: 1.2.1 ChimeraX-Label: 1.1.14 ChimeraX-ListInfo: 1.2.2 ChimeraX-Log: 1.2 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.9.1 ChimeraX-Map: 1.3 ChimeraX-MapData: 2.0 ChimeraX-MapEraser: 1.0.1 ChimeraX-MapFilter: 2.0.1 ChimeraX-MapFit: 2.0 ChimeraX-MapSeries: 2.1.1 ChimeraX-Markers: 1.0.1 ChimeraX-Mask: 1.0.2 ChimeraX-MatchMaker: 2.1.6 ChimeraX-MCopy: 1.0 ChimeraX-MDcrds: 2.7.2 ChimeraX-MedicalToolbar: 1.1 ChimeraX-Meeting: 1.0.1 ChimeraX-MLP: 1.1.1 ChimeraX-mmCIF: 2.14.2 ChimeraX-MMTF: 2.2 ChimeraX-ModelArchive: 1.0 ChimeraX-Modeller: 1.5.18 ChimeraX-ModelPanel: 1.5 ChimeraX-ModelSeries: 1.0.1 ChimeraX-Mol2: 2.0.3 ChimeraX-Mole: 1.0 ChimeraX-Morph: 1.0.2 ChimeraX-MouseModes: 1.2 ChimeraX-Movie: 1.0 ChimeraX-MutationScores: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nifti: 1.2 ChimeraX-NMRSTAR: 1.0.2 ChimeraX-NRRD: 1.2 ChimeraX-Nucleotides: 2.0.3 ChimeraX-OpenCommand: 1.14 ChimeraX-OrthoPick: 1.0.1 ChimeraX-PDB: 2.7.6 ChimeraX-PDBBio: 1.0.1 ChimeraX-PDBLibrary: 1.0.4 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0.1 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.1.2 ChimeraX-PubChem: 2.2 ChimeraX-ReadPbonds: 1.0.1 ChimeraX-Registration: 1.1.2 ChimeraX-RemoteControl: 1.0 ChimeraX-RenderByAttr: 1.6.2 ChimeraX-RenumberResidues: 1.1 ChimeraX-ResidueFit: 1.0.1 ChimeraX-RestServer: 1.3.1 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 4.0 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.5.1 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0.2 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0.1 ChimeraX-Segmentations: 3.5.6 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.14 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0.1 ChimeraX-Shortcuts: 1.2.0 ChimeraX-ShowSequences: 1.0.3 ChimeraX-SideView: 1.0.1 ChimeraX-SimilarStructures: 1.0.1 ChimeraX-Smiles: 2.1.2 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.18.1 ChimeraX-STL: 1.0.1 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.2.1 ChimeraX-Struts: 1.0.1 ChimeraX-Surface: 1.0.1 ChimeraX-SwapAA: 2.0.1 ChimeraX-SwapRes: 2.5 ChimeraX-TapeMeasure: 1.0 ChimeraX-TaskManager: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.2.3 ChimeraX-ToolshedUtils: 1.2.4 ChimeraX-Topography: 1.0 ChimeraX-ToQuest: 1.0 ChimeraX-Tug: 1.0.1 ChimeraX-UI: 1.41 ChimeraX-Umap: 1.0 ChimeraX-uniprot: 2.3.1 ChimeraX-UnitCell: 1.0.1 ChimeraX-ViewDockX: 1.4.4 ChimeraX-VIPERdb: 1.0 ChimeraX-Vive: 1.1 ChimeraX-VolumeMenu: 1.0.1 ChimeraX-vrml: 1.0 ChimeraX-VTK: 1.0 ChimeraX-WavefrontOBJ: 1.0 ChimeraX-WebCam: 1.0.2 ChimeraX-WebServices: 1.1.4 ChimeraX-Zone: 1.0.1 colorama: 0.4.6 comm: 0.2.2 contourpy: 1.3.1 cxservices: 1.2.3 cycler: 0.12.1 Cython: 3.0.10 debugpy: 1.8.9 decorator: 5.1.1 docutils: 0.21.2 executing: 2.1.0 filelock: 3.15.4 fonttools: 4.55.3 funcparserlib: 2.0.0a0 glfw: 2.8.0 grako: 3.16.5 h11: 0.14.0 h5py: 3.12.1 html2text: 2024.2.26 httpcore: 1.0.7 httpx: 0.28.1 idna: 3.10 ihm: 1.3 imagecodecs: 2024.6.1 imagesize: 1.4.1 ipykernel: 6.29.5 ipython: 8.26.0 ipywidgets: 8.1.5 jedi: 0.19.1 Jinja2: 3.1.4 jupyter_client: 8.6.2 jupyter_core: 5.7.2 jupyterlab_widgets: 3.0.13 kiwisolver: 1.4.7 line_profiler: 4.1.3 lxml: 5.2.2 lz4: 4.3.3 MarkupSafe: 3.0.2 matplotlib: 3.9.2 matplotlib-inline: 0.1.7 msgpack: 1.0.8 ndindex: 1.9.2 nest-asyncio: 1.6.0 netCDF4: 1.6.5 networkx: 3.3 nibabel: 5.2.0 nptyping: 2.5.0 numexpr: 2.10.2 numpy: 2.1.3 numpy: 1.26.4 openvr: 1.26.701 packaging: 23.2 ParmEd: 4.2.2 parso: 0.8.4 pep517: 0.13.1 pexpect: 4.9.0 pillow: 10.4.0 pip: 24.2 pkginfo: 1.11.1 platformdirs: 4.3.6 plotly: 5.24.1 prompt_toolkit: 3.0.48 psutil: 6.0.0 ptyprocess: 0.7.0 pure_eval: 0.2.3 py-cpuinfo: 9.0.0 pycollada: 0.8 pydicom: 2.4.4 pyelftools: 0.31 Pygments: 2.18.0 pyKVFinder: 0.7.1 pynmrstar: 3.3.4 pynrrd: 1.0.0 PyOpenGL: 3.1.7 PyOpenGL-accelerate: 3.1.7 pyopenxr: 1.0.3401 pyparsing: 3.2.0 pyproject_hooks: 1.2.0 PyQt6-commercial: 6.7.1 PyQt6-Qt6: 6.7.3 PyQt6-WebEngine-commercial: 6.7.0 PyQt6-WebEngine-Qt6: 6.7.3 PyQt6-WebEngineSubwheel-Qt6: 6.7.3 PyQt6_sip: 13.8.0 python-dateutil: 2.9.0.post0 pytz: 2024.2 pyzmq: 26.2.0 qtconsole: 5.5.2 QtPy: 2.4.2 qtshim: 1.0 RandomWords: 0.4.0 requests: 2.32.3 scipy: 1.14.0 setuptools: 72.1.0 sfftk-rw: 0.8.1 six: 1.16.0 sniffio: 1.3.1 snowballstemmer: 2.2.0 sortedcontainers: 2.4.0 soupsieve: 2.6 Sphinx: 8.0.2 sphinx-autodoc-typehints: 2.2.3 sphinxcontrib-applehelp: 2.0.0 sphinxcontrib-blockdiag: 3.0.0 sphinxcontrib-devhelp: 2.0.0 sphinxcontrib-htmlhelp: 2.1.0 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 2.0.0 sphinxcontrib-serializinghtml: 2.0.0 stack-data: 0.6.3 superqt: 0.6.3 tables: 3.10.1 tcia_utils: 1.5.1 tenacity: 9.0.0 tifffile: 2024.7.24 tinyarray: 1.2.4 toml: 0.10.2 tornado: 6.4.2 traitlets: 5.14.3 typing_extensions: 4.12.2 tzdata: 2024.2 urllib3: 2.2.3 wcwidth: 0.2.13 webcolors: 24.6.0 wheel: 0.43.0 wheel-filename: 1.4.1 widgetsnbextension: 4.0.13
Change History (2)
comment:1 by , 4 weeks ago
Component: | Unassigned → Structure Editing |
---|---|
Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → accepted |
Summary: | ChimeraX bug report submission → AddH: more than 2 coplanar positions specified |
comment:2 by , 4 weeks ago
Resolution: | → not a bug |
---|---|
Status: | accepted → closed |
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