Opened 2 years ago
Closed 2 years ago
#10305 closed defect (duplicate)
KeyError matching selected regions
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Structure Comparison | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: Windows-10-10.0.19045
ChimeraX Version: 1.6.1 (2023-05-09 17:57:07 UTC)
Description
(Describe the actions that caused this problem to occur here)
Log:
UCSF ChimeraX version: 1.6.1 (2023-05-09)
© 2016-2023 Regents of the University of California. All rights reserved.
> open "C:\\\Users\\\sarson-lawrence.k\\\OneDrive -
> wehi.edu.au\\\GCSF_paper\\\gp130_figure.cxs"
Log from Mon Nov 13 10:50:01 2023UCSF ChimeraX version: 1.6.1 (2023-05-09)
© 2016-2023 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open 8d82
8d82 title:
Cryo-EM structure of human IL-6 signaling complex in detergent: model
containing full extracellular domains [more info...]
Chain information for 8d82 #1
---
Chain | Description | UniProt
A E | Interleukin-6 receptor subunit beta | IL6RB_HUMAN 23-700
C G | Soluble interleukin-6 receptor subunit alpha | IL6RA_HUMAN 20-331
D H | Interleukin-6 | IL6_HUMAN 30-212
Non-standard residues in 8d82 #1
---
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)
> set bgColor white
> hide atoms
> show cartoons
> show surfaces
> transparency70
Unknown command: transparency70
> transparency 70
Drag select of 8d82_E SES surface, 137124 of 595960 triangles, 149 residues
Drag select of 8d82_A SES surface, 146645 of 599374 triangles, 150 residues
> select up
1547 atoms, 1592 bonds, 192 residues, 2 models selected
> select up
4803 atoms, 4940 bonds, 595 residues, 2 models selected
> select up
17366 atoms, 17850 bonds, 2146 residues, 2 models selected
> select down
4803 atoms, 4940 bonds, 595 residues, 7 models selected
> color (#!1 & sel) #abffb8ff
> color (#!1 & sel) #8fffb4ff
Drag select of 8d82_E SES surface, 81034 of 595960 triangles, 107 residues
> select up
1182 atoms, 1213 bonds, 145 residues, 2 models selected
> select up
4803 atoms, 4940 bonds, 595 residues, 2 models selected
> color (#!1 & sel) #f6ffbbff
> color (#!1 & sel) #bbffdaff
> color (#!1 & sel) #bcf4ffff
> color (#!1 & sel) #d3f8ffff
> color (#!1 & sel) #cddaffff
> color (#!1 & sel) #b7cdffff
> color (#!1 & sel) #98deffff
> color (#!1 & sel) #1d83ffff
> color (#!1 & sel) #6557ffff
> color (#!1 & sel) #107cffff
> color (#!1 & sel) #0f7bffff
> color (#!1 & sel) #1e96ffff
> color (#!1 & sel) #3a8fffff
> color (#!1 & sel) #57ffddff
> color (#!1 & sel) #4efff9ff
> color (#!1 & sel) #3ec2ffff
> select clear
> color #92caffff
> undo
Drag select of 8d82_E SES surface, 106540 of 595960 triangles, 122 residues
> select up
1740 atoms, 1785 bonds, 217 residues, 2 models selected
> select up
4803 atoms, 4940 bonds, 595 residues, 2 models selected
> color (#!1 & sel) #aee9ffff
> color (#!1 & sel) #8fe7ffff
> color (#!1 & sel) #8fecffff
> color (#!1 & sel) #86f5ffff
> color (#!1 & sel) #81eaffff
> color (#!1 & sel) #75e8ffff
Drag select of 8d82_A SES surface, 60902 of 599374 triangles, 75 residues
> select up
1076 atoms, 1100 bonds, 130 residues, 2 models selected
> select up
4803 atoms, 4940 bonds, 595 residues, 2 models selected
> select up
17366 atoms, 17850 bonds, 2146 residues, 2 models selected
> select down
4803 atoms, 4940 bonds, 595 residues, 7 models selected
> color (#!1 & sel) #a1ffbcff
> color (#!1 & sel) #89ffbaff
> color (#!1 & sel) #6bff90ff
> select clear
> transparency 70
Drag select of 8d82_D SES surface, 8395 of 180946 triangles, 4 residues
> select up
247 atoms, 252 bonds, 30 residues, 2 models selected
> select up
1358 atoms, 1376 bonds, 169 residues, 2 models selected
> select up
17366 atoms, 17850 bonds, 2146 residues, 2 models selected
> select down
1358 atoms, 1376 bonds, 169 residues, 7 models selected
> color (#!1 & sel) #ff54a1ff
Drag select of 8d82_H SES surface, 10887 of 181260 triangles, 14 residues
> select up
406 atoms, 410 bonds, 49 residues, 2 models selected
> select up
1358 atoms, 1376 bonds, 169 residues, 2 models selected
> color (#!1 & sel) #ffb254ff
> color (#!1 & sel) #ff54a4ff
> color (#!1 & sel) #ffb254ff
> color (#!1 & sel) #ff54a1ff
> select clear
> transparency 70
> save C:\Users\sarson-lawrence.k\Desktop\image38.png supersample 3
> save C:\Users\sarson-lawrence.k\Desktop\image39.png supersample 3
> save "C:/Users/sarson-lawrence.k/OneDrive -
> wehi.edu.au/GCSF_paper/gp130_figure.cxs"
——— End of log from Mon Nov 13 10:50:01 2023 ———
opened ChimeraX session
> open "C:/Users/sarson-lawrence.k/OneDrive - wehi.edu.au/GCSF_paper/GCSF-
> GCSFR_Isolde_kaiseal_11_symmetry.pdb"
Chain information for GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb #2
---
Chain | Description
A | No description available
B | No description available
C D | No description available
> hide atoms
> ui tool show Matchmaker
> matchmaker #!1 to #2
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 GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain B (#2) with 8d82,
chain A (#1), sequence alignment score = 814.5
RMSD between 106 pruned atom pairs is 0.844 angstroms; (across all 550 pairs:
11.340)
Drag select of 8d82_G SES surface, 70051 of 302790 triangles, 71 residues
> select up
667 atoms, 684 bonds, 88 residues, 2 models selected
> select up
2382 atoms, 2459 bonds, 299 residues, 2 models selected
> select up
17366 atoms, 17850 bonds, 2146 residues, 2 models selected
> select down
2382 atoms, 2459 bonds, 299 residues, 7 models selected
> hide sel cartoons
> select clear
> hide surfaces
Drag select of 53 residues
> select up
708 atoms, 723 bonds, 95 residues, 2 models selected
> select up
2382 atoms, 2459 bonds, 299 residues, 2 models selected
> hide sel cartoons
Drag select of 3 residues
> select up
91 atoms, 91 bonds, 12 residues, 2 models selected
> select up
1358 atoms, 1376 bonds, 169 residues, 2 models selected
> select up
17366 atoms, 17850 bonds, 2146 residues, 2 models selected
> select down
1358 atoms, 1376 bonds, 169 residues, 7 models selected
> hide sel cartoons
Drag select of 3 residues
> select up
96 atoms, 95 bonds, 13 residues, 2 models selected
> select up
1358 atoms, 1376 bonds, 169 residues, 2 models selected
> select up
17366 atoms, 17850 bonds, 2146 residues, 2 models selected
> select down
1358 atoms, 1376 bonds, 169 residues, 7 models selected
> hide sel cartoons
> select add #1
17366 atoms, 17850 bonds, 2146 residues, 2 models selected
> select subtract #1
6 models selected
> hide #!1 models
Drag select of 41 residues
> select up
1159 atoms, 1168 bonds, 80 residues, 1 model selected
> select up
2546 atoms, 2570 bonds, 168 residues, 1 model selected
> hide sel cartoons
Drag select of 11 residues
> select up
626 atoms, 631 bonds, 43 residues, 1 model selected
> select up
2543 atoms, 2568 bonds, 168 residues, 1 model selected
> select up
23503 atoms, 23865 bonds, 1528 residues, 1 model selected
> select down
2543 atoms, 2568 bonds, 168 residues, 1 model selected
> hide sel cartoons
Drag select of 99 residues, 1 pseudobonds
> select up
2166 atoms, 2193 bonds, 1 pseudobond, 139 residues, 2 models selected
> select up
7902 atoms, 8032 bonds, 1 pseudobond, 502 residues, 2 models selected
> select up
8016 atoms, 8149 bonds, 1 pseudobond, 510 residues, 2 models selected
> select up
9371 atoms, 9527 bonds, 1 pseudobond, 596 residues, 2 models selected
> select up
23503 atoms, 23865 bonds, 4 pseudobonds, 1528 residues, 2 models selected
> select down
9371 atoms, 9527 bonds, 1 pseudobond, 596 residues, 2 models selected
> hide sel cartoons
> show #!1 models
> undo
> redo
> color #2 #2630ebff
Drag select of 90 residues
> select up
765 atoms, 785 bonds, 96 residues, 2 models selected
> select up
4803 atoms, 4940 bonds, 595 residues, 2 models selected
> select up
17366 atoms, 17850 bonds, 2146 residues, 2 models selected
> select down
4803 atoms, 4940 bonds, 595 residues, 7 models selected
> hide sel cartoons
> matchmaker #1/E to #2/A pairing ss
Parameters
---
Chain pairing | ss
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 GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain A (#2) with 8d82,
chain E (#1), sequence alignment score = 803.3
RMSD between 161 pruned atom pairs is 1.190 angstroms; (across all 550 pairs:
13.959)
> color #2 #eb9635ff
Drag select of 381 residues
> select up
4737 atoms, 4827 bonds, 404 residues, 3 models selected
> select up
10895 atoms, 11137 bonds, 1001 residues, 3 models selected
> select down
4737 atoms, 4827 bonds, 404 residues, 3 models selected
> hide sel cartoons
> undo
> select clear
Drag select of 400 residues
> select up
4737 atoms, 3204 bonds, 404 residues, 3 models selected
> select down
4683 atoms, 400 residues, 3 models selected
> hide sel cartoons
> select clear
> save "C:/Users/sarson-lawrence.k/OneDrive -
> wehi.edu.au/GCSF_paper/GCSF_D3-D4_overlay_gp130.cxs"
Drag select of 150 residues
> select up
2133 atoms, 2171 bonds, 180 residues, 3 models selected
> select up
7754 atoms, 7943 bonds, 785 residues, 3 models selected
> select clear
Drag select of 15 residues
> select up
434 atoms, 439 bonds, 27 residues, 1 model selected
> select up
1467 atoms, 1493 bonds, 94 residues, 1 model selected
> select up
1485 atoms, 1510 bonds, 96 residues, 1 model selected
> select up
2951 atoms, 3003 bonds, 190 residues, 1 model selected
> select down
1485 atoms, 1510 bonds, 96 residues, 1 model selected
> hide sel cartoons
Drag select of 2 residues
> select up
150 atoms, 152 bonds, 10 residues, 1 model selected
> select up
1484 atoms, 1510 bonds, 96 residues, 1 model selected
> select up
1614 atoms, 1642 bonds, 105 residues, 1 model selected
> select down
1484 atoms, 1510 bonds, 96 residues, 1 model selected
> hide sel cartoons
Drag select of 98 residues
> hide sel cartoons
Drag select of 95 residues
> hide sel cartoons
> lighting full
> hide #!1 models
Drag select of 104 residues
> show #!1 models
> hide #!2 models
Drag select of 102 residues
> show #!2 models
> matchmaker #1/E & sel to #2/A pairing ss
Traceback (most recent call last):
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\tool.py", line 169, in <lambda>
bbox.button(qbbox.Apply).clicked.connect(lambda *args:
self.run_matchmaker(apply=True))
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\tool.py", line 288, in run_matchmaker
run(self.session, cmd)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\match.py", line 730, in cmd_match
ret_vals = match(session, pairing, match_items, matrix, alg, gap_open,
gap_extend,
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\match.py", line 314, in match
score, s1, s2 = align(session, ref, match, final_matrix_name[match], alg,
KeyError: <chimerax.atomic.molobject.StructureSeq object at
0x000002B0BEB168B0>
KeyError:
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\match.py", line 314, in match
score, s1, s2 = align(session, ref, match, final_matrix_name[match], alg,
See log for complete Python traceback.
> matchmaker #1/E & sel to #2/A pairing ss
Traceback (most recent call last):
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\tool.py", line 169, in <lambda>
bbox.button(qbbox.Apply).clicked.connect(lambda *args:
self.run_matchmaker(apply=True))
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\tool.py", line 288, in run_matchmaker
run(self.session, cmd)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\match.py", line 730, in cmd_match
ret_vals = match(session, pairing, match_items, matrix, alg, gap_open,
gap_extend,
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\match.py", line 314, in match
score, s1, s2 = align(session, ref, match, final_matrix_name[match], alg,
KeyError: <chimerax.atomic.molobject.StructureSeq object at
0x000002B0C3ED60D0>
KeyError:
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\match.py", line 314, in match
score, s1, s2 = align(session, ref, match, final_matrix_name[match], alg,
See log for complete Python traceback.
> matchmaker #!1 & sel to #2
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 GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain B (#2) with 8d82,
chain E (#1), sequence alignment score = 119
RMSD between 46 pruned atom pairs is 0.974 angstroms; (across all 97 pairs:
3.940)
> matchmaker #1/E & sel to #2/A pairing ss
Traceback (most recent call last):
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\tool.py", line 169, in <lambda>
bbox.button(qbbox.Apply).clicked.connect(lambda *args:
self.run_matchmaker(apply=True))
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\tool.py", line 288, in run_matchmaker
run(self.session, cmd)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\match.py", line 730, in cmd_match
ret_vals = match(session, pairing, match_items, matrix, alg, gap_open,
gap_extend,
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\match.py", line 314, in match
score, s1, s2 = align(session, ref, match, final_matrix_name[match], alg,
KeyError: <chimerax.atomic.molobject.StructureSeq object at
0x000002B0C8F32A60>
KeyError:
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\match.py", line 314, in match
score, s1, s2 = align(session, ref, match, final_matrix_name[match], alg,
See log for complete Python traceback.
> matchmaker #1/E to #2/A pairing ss
Parameters
---
Chain pairing | ss
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 GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain A (#2) with 8d82,
chain E (#1), sequence alignment score = 803.3
RMSD between 161 pruned atom pairs is 1.190 angstroms; (across all 550 pairs:
13.959)
> select clear
Drag select of 34 residues
> select up
771 atoms, 780 bonds, 50 residues, 1 model selected
> select up
6092 atoms, 6197 bonds, 406 residues, 1 model selected
> color #2 #eb1e4bff
> color #2 #eb0b47ff
> color #2 #eb2056ff
> color #2 #eb1e7aff
> color #2 #eb124cff
> color #2 #eb134dff
> select clear
> save C:\Users\sarson-lawrence.k\Desktop\image49.png supersample 3
> save "C:/Users/sarson-lawrence.k/OneDrive -
> wehi.edu.au/GCSF_paper/GCSF_D3-D4_overlay_gp130.cxs"
> style stick
Changed 40869 atom styles
> hide cartoons
> show cartoons
> undo
[Repeated 1 time(s)]Drag select of 397 residues
> style sel stick
Changed 4451 atom styles
> show sel cartoons
> style sel ball
Changed 4451 atom styles
> select clear
> show atoms
> hide atoms
> nucleotides atoms
> style nucleic stick
Changed 0 atom styles
> nucleotides tube/slab shape box
> nucleotides atoms
> style nucleic stick
Changed 0 atom styles
> help help:user
Drag select of 397 residues
> ribbon
> undo
> licorice
Unknown command: licorice
> cartoon style protein modeHelix default arrows false xsection oval width 1
> thickness 1
> select clear
> save C:\Users\sarson-lawrence.k\Desktop\image50.png supersample 3
> save "C:/Users/sarson-lawrence.k/OneDrive -
> wehi.edu.au/GCSF_paper/GCSF_D3-D4_overlay_gp130.cxs"
> style stick
Changed 40869 atom styles
> show cartoons
> hide cartoons
> undo
[Repeated 1 time(s)]
> matchmaker #1/E to #2/A pairing ss
Parameters
---
Chain pairing | ss
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 GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain A (#2) with 8d82,
chain E (#1), sequence alignment score = 803.3
RMSD between 161 pruned atom pairs is 1.190 angstroms; (across all 550 pairs:
13.959)
> matchmaker #1/E to #2/A pairing ss cutoffDistance 3.0
Parameters
---
Chain pairing | ss
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 | 3
Matchmaker GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain A (#2) with 8d82,
chain E (#1), sequence alignment score = 803.3
RMSD between 191 pruned atom pairs is 1.481 angstroms; (across all 550 pairs:
13.865)
> matchmaker #1/E to #2/A pairing ss
Parameters
---
Chain pairing | ss
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 GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain A (#2) with 8d82,
chain E (#1), sequence alignment score = 803.3
RMSD between 161 pruned atom pairs is 1.190 angstroms; (across all 550 pairs:
13.959)
> ui tool show Matchmaker
> matchmaker #1/E to #2/A pairing ss
Parameters
---
Chain pairing | ss
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 GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain A (#2) with 8d82,
chain E (#1), sequence alignment score = 803.3
RMSD between 161 pruned atom pairs is 1.190 angstroms; (across all 550 pairs:
13.959)
> matchmaker #1/E to #2/A pairing ss
Parameters
---
Chain pairing | ss
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 GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain A (#2) with 8d82,
chain E (#1), sequence alignment score = 803.3
RMSD between 161 pruned atom pairs is 1.190 angstroms; (across all 550 pairs:
13.959)
> show cartoons
> matchmaker #1/E to #2/A pairing ss
Parameters
---
Chain pairing | ss
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 GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain A (#2) with 8d82,
chain E (#1), sequence alignment score = 803.3
RMSD between 161 pruned atom pairs is 1.190 angstroms; (across all 550 pairs:
13.959)
> matchmaker #1/E to #2/A pairing ss cutoffDistance 4.0
Parameters
---
Chain pairing | ss
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 | 4
Matchmaker GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain A (#2) with 8d82,
chain E (#1), sequence alignment score = 803.3
RMSD between 212 pruned atom pairs is 1.785 angstroms; (across all 550 pairs:
13.707)
> matchmaker #1/E to #2/A pairing ss cutoffDistance 1.0
Parameters
---
Chain pairing | ss
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 | 1
Matchmaker GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain A (#2) with 8d82,
chain E (#1), sequence alignment score = 803.3
RMSD between 65 pruned atom pairs is 0.704 angstroms; (across all 550 pairs:
14.072)
> matchmaker #1/E to #2/A pairing ss cutoffDistance 10.0
Parameters
---
Chain pairing | ss
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 | 10
Matchmaker GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain A (#2) with 8d82,
chain E (#1), sequence alignment score = 803.3
RMSD between 384 pruned atom pairs is 5.512 angstroms; (across all 550 pairs:
9.924)
Drag select of 127 residues
> select up
1124 atoms, 1152 bonds, 147 residues, 2 models selected
> select up
2382 atoms, 2459 bonds, 299 residues, 2 models selected
> hide sel cartoons
Drag select of 159 residues
> select up
1583 atoms, 1628 bonds, 204 residues, 2 models selected
> select up
2382 atoms, 2459 bonds, 299 residues, 2 models selected
> hide sel cartoons
Drag select of 64 residues
> select up
1163 atoms, 1180 bonds, 120 residues, 3 models selected
> select up
11221 atoms, 11462 bonds, 1001 residues, 3 models selected
> select up
11453 atoms, 11695 bonds, 1018 residues, 3 models selected
> select up
12705 atoms, 12972 bonds, 1097 residues, 3 models selected
> select up
12819 atoms, 13089 bonds, 1105 residues, 3 models selected
> select up
14174 atoms, 14467 bonds, 1191 residues, 3 models selected
> select up
40869 atoms, 41715 bonds, 3674 residues, 3 models selected
> select down
14174 atoms, 14467 bonds, 1191 residues, 8 models selected
> hide sel cartoons
Drag select of 150 residues
> select up
3229 atoms, 3259 bonds, 273 residues, 3 models selected
> select up
3904 atoms, 3946 bonds, 337 residues, 3 models selected
> select up
40869 atoms, 41715 bonds, 3674 residues, 3 models selected
> select down
3904 atoms, 3946 bonds, 337 residues, 8 models selected
> hide sel cartoons
Drag select of 97 residues
> select up
2675 atoms, 2698 bonds, 220 residues, 3 models selected
> select up
3901 atoms, 3944 bonds, 337 residues, 3 models selected
> select up
40869 atoms, 41715 bonds, 3674 residues, 3 models selected
> select down
3901 atoms, 3944 bonds, 337 residues, 8 models selected
> hide sel cartoons
> ui tool show Matchmaker
> matchmaker #1/E to #2/A pairing ss cutoffDistance 10.0
Parameters
---
Chain pairing | ss
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 | 10
Matchmaker GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain A (#2) with 8d82,
chain E (#1), sequence alignment score = 803.3
RMSD between 384 pruned atom pairs is 5.512 angstroms; (across all 550 pairs:
9.924)
> matchmaker #1/E to #2/A pairing ss
Parameters
---
Chain pairing | ss
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 GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain A (#2) with 8d82,
chain E (#1), sequence alignment score = 803.3
RMSD between 161 pruned atom pairs is 1.190 angstroms; (across all 550 pairs:
13.959)
> matchmaker #1/E to #2/A pairing ss cutoffDistance 3.0
Parameters
---
Chain pairing | ss
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 | 3
Matchmaker GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain A (#2) with 8d82,
chain E (#1), sequence alignment score = 803.3
RMSD between 191 pruned atom pairs is 1.481 angstroms; (across all 550 pairs:
13.865)
> save C:\Users\sarson-lawrence.k\Desktop\image53.png supersample 3
Drag select of 594 residues
Drag select of 607 residues
> matchmaker #1/E to #2/A pairing ss cutoffDistance 3.0
Parameters
---
Chain pairing | ss
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 | 3
Matchmaker GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain A (#2) with 8d82,
chain E (#1), sequence alignment score = 803.3
RMSD between 191 pruned atom pairs is 1.481 angstroms; (across all 550 pairs:
13.865)
> matchmaker #1/E to #2/A pairing ss cutoffDistance none
Parameters
---
Chain pairing | ss
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
No iteration
Matchmaker GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain A (#2) with 8d82,
chain E (#1), sequence alignment score = 803.3
RMSD between 550 atom pairs is 9.350 angstroms
> matchmaker #1/E & sel to #2/A & sel pairing ss cutoffDistance none
Traceback (most recent call last):
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\tool.py", line 169, in <lambda>
bbox.button(qbbox.Apply).clicked.connect(lambda *args:
self.run_matchmaker(apply=True))
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\tool.py", line 288, in run_matchmaker
run(self.session, cmd)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\match.py", line 730, in cmd_match
ret_vals = match(session, pairing, match_items, matrix, alg, gap_open,
gap_extend,
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\match.py", line 314, in match
score, s1, s2 = align(session, ref, match, final_matrix_name[match], alg,
KeyError: <chimerax.atomic.molobject.StructureSeq object at
0x000002B0C7C42340>
KeyError:
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\match.py", line 314, in match
score, s1, s2 = align(session, ref, match, final_matrix_name[match], alg,
See log for complete Python traceback.
> matchmaker #1/E to #2/A & sel pairing ss cutoffDistance none
Parameters
---
Chain pairing | ss
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
No iteration
Matchmaker GCSF-GCSFR_Isolde_kaiseal_11_symmetry.pdb, chain A (#2) with 8d82,
chain E (#1), sequence alignment score = 411.3
RMSD between 285 atom pairs is 4.210 angstroms
> matchmaker #1/E & sel to #2/A pairing ss cutoffDistance none
Traceback (most recent call last):
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\tool.py", line 169, in <lambda>
bbox.button(qbbox.Apply).clicked.connect(lambda *args:
self.run_matchmaker(apply=True))
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\tool.py", line 288, in run_matchmaker
run(self.session, cmd)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\match.py", line 730, in cmd_match
ret_vals = match(session, pairing, match_items, matrix, alg, gap_open,
gap_extend,
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\match.py", line 314, in match
score, s1, s2 = align(session, ref, match, final_matrix_name[match], alg,
KeyError: <chimerax.atomic.molobject.StructureSeq object at
0x000002B0C7C59310>
KeyError:
File "C:\Program Files\ChimeraX\bin\lib\site-
packages\chimerax\match_maker\match.py", line 314, in match
score, s1, s2 = align(session, ref, match, final_matrix_name[match], alg,
See log for complete Python traceback.
OpenGL version: 3.3.0 - Build 20.19.15.5063
OpenGL renderer: Intel(R) HD Graphics 4600
OpenGL vendor: Intel
Python: 3.9.11
Locale: en_AU.cp1252
Qt version: PyQt6 6.4.2, Qt 6.4.2
Qt runtime version: 6.4.3
Qt platform: windows
Manufacturer: Dell Inc.
Model: OptiPlex 9020
OS: Microsoft Windows 10 Pro (Build 19045)
Memory: 8,493,617,152
MaxProcessMemory: 137,438,953,344
CPU: 8 Intel(R) Core(TM) i7-4770 CPU @ 3.40GHz
OSLanguage: en-GB
Installed Packages:
alabaster: 0.7.13
appdirs: 1.4.4
asttokens: 2.2.1
Babel: 2.12.1
backcall: 0.2.0
beautifulsoup4: 4.11.2
blockdiag: 3.0.0
build: 0.10.0
certifi: 2023.5.7
cftime: 1.6.2
charset-normalizer: 3.1.0
ChimeraX-AddCharge: 1.5.9.1
ChimeraX-AddH: 2.2.5
ChimeraX-AlignmentAlgorithms: 2.0.1
ChimeraX-AlignmentHdrs: 3.3.1
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 2.9.3
ChimeraX-AlphaFold: 1.0
ChimeraX-AltlocExplorer: 1.0.3
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.43.10
ChimeraX-AtomicLibrary: 10.0.6
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.3.2
ChimeraX-BasicActions: 1.1.2
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 2.1.2
ChimeraX-BondRot: 2.0.1
ChimeraX-BugReporter: 1.0.1
ChimeraX-BuildStructure: 2.8
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.2.2
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.3.2
ChimeraX-ChangeChains: 1.0.2
ChimeraX-CheckWaters: 1.3.1
ChimeraX-ChemGroup: 2.0.1
ChimeraX-Clashes: 2.2.4
ChimeraX-Clipper: 0.21.0
ChimeraX-ColorActions: 1.0.3
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.3
ChimeraX-CommandLine: 1.2.5
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.6.1
ChimeraX-CoreFormats: 1.1
ChimeraX-coulombic: 1.4.2
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.3
ChimeraX-Dicom: 1.2
ChimeraX-DistMonitor: 1.4
ChimeraX-DockPrep: 1.1.1
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ESMFold: 1.0
ChimeraX-FileHistory: 1.0.1
ChimeraX-FunctionKey: 1.0.1
ChimeraX-Geometry: 1.3
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.1.1
ChimeraX-Hbonds: 2.4
ChimeraX-Help: 1.2.1
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.1
ChimeraX-ISOLDE: 1.6.0
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-Label: 1.1.7
ChimeraX-ListInfo: 1.1.1
ChimeraX-Log: 1.1.5
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.8.2
ChimeraX-Map: 1.1.4
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0.1
ChimeraX-MapFilter: 2.0.1
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1.1
ChimeraX-Markers: 1.0.1
ChimeraX-Mask: 1.0.2
ChimeraX-MatchMaker: 2.0.12
ChimeraX-MDcrds: 2.6
ChimeraX-MedicalToolbar: 1.0.2
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.12
ChimeraX-MMTF: 2.2
ChimeraX-Modeller: 1.5.9
ChimeraX-ModelPanel: 1.3.7
ChimeraX-ModelSeries: 1.0.1
ChimeraX-Mol2: 2.0
ChimeraX-Mole: 1.0
ChimeraX-Morph: 1.0.2
ChimeraX-MouseModes: 1.2
ChimeraX-Movie: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nifti: 1.0
ChimeraX-NRRD: 1.0
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.10.1
ChimeraX-PDB: 2.7.2
ChimeraX-PDBBio: 1.0
ChimeraX-PDBLibrary: 1.0.2
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1
ChimeraX-PubChem: 2.1
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.1
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.1
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.1
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 3.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.1
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.8.3
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.1.1
ChimeraX-ShowSequences: 1.0.1
ChimeraX-SideView: 1.0.1
ChimeraX-Smiles: 2.1
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.10.3
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.1.2
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.2.1
ChimeraX-TapeMeasure: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.1.2
ChimeraX-ToolshedUtils: 1.2.1
ChimeraX-Topography: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.28.4
ChimeraX-uniprot: 2.2.2
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.2
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0.1
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0.2
ChimeraX-WebServices: 1.1.1
ChimeraX-Zone: 1.0.1
colorama: 0.4.6
comm: 0.1.3
comtypes: 1.1.14
contourpy: 1.0.7
cxservices: 1.2.2
cycler: 0.11.0
Cython: 0.29.33
debugpy: 1.6.7
decorator: 5.1.1
docutils: 0.19
executing: 1.2.0
filelock: 3.9.0
fonttools: 4.39.3
funcparserlib: 1.0.1
grako: 3.16.5
h5py: 3.8.0
html2text: 2020.1.16
idna: 3.4
ihm: 0.35
imagecodecs: 2022.9.26
imagesize: 1.4.1
importlib-metadata: 6.6.0
ipykernel: 6.21.1
ipython: 8.10.0
ipython-genutils: 0.2.0
ipywidgets: 8.0.6
jedi: 0.18.2
Jinja2: 3.1.2
jupyter-client: 8.0.2
jupyter-core: 5.3.0
jupyterlab-widgets: 3.0.7
kiwisolver: 1.4.4
line-profiler: 4.0.2
lxml: 4.9.2
lz4: 4.3.2
MarkupSafe: 2.1.2
matplotlib: 3.6.3
matplotlib-inline: 0.1.6
msgpack: 1.0.4
nest-asyncio: 1.5.6
netCDF4: 1.6.2
networkx: 2.8.8
nibabel: 5.0.1
nptyping: 2.5.0
numexpr: 2.8.4
numpy: 1.23.5
openvr: 1.23.701
packaging: 23.1
ParmEd: 3.4.3
parso: 0.8.3
pep517: 0.13.0
pickleshare: 0.7.5
Pillow: 9.3.0
pip: 23.0
pkginfo: 1.9.6
platformdirs: 3.5.0
prompt-toolkit: 3.0.38
psutil: 5.9.4
pure-eval: 0.2.2
pycollada: 0.7.2
pydicom: 2.3.0
Pygments: 2.14.0
pynrrd: 1.0.0
PyOpenGL: 3.1.5
PyOpenGL-accelerate: 3.1.5
pyparsing: 3.0.9
pyproject-hooks: 1.0.0
PyQt6-commercial: 6.4.2
PyQt6-Qt6: 6.4.3
PyQt6-sip: 13.4.1
PyQt6-WebEngine-commercial: 6.4.0
PyQt6-WebEngine-Qt6: 6.4.3
python-dateutil: 2.8.2
pytz: 2023.3
pywin32: 305
pyzmq: 25.0.2
qtconsole: 5.4.0
QtPy: 2.3.1
RandomWords: 0.4.0
requests: 2.28.2
scipy: 1.9.3
setuptools: 67.4.0
sfftk-rw: 0.7.3
six: 1.16.0
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
soupsieve: 2.4.1
sphinx: 6.1.3
sphinx-autodoc-typehints: 1.22
sphinxcontrib-applehelp: 1.0.4
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 1.0.2
sphinxcontrib-htmlhelp: 2.0.1
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 1.0.3
sphinxcontrib-serializinghtml: 1.1.5
stack-data: 0.6.2
tables: 3.7.0
tcia-utils: 1.2.0
tifffile: 2022.10.10
tinyarray: 1.2.4
tomli: 2.0.1
tornado: 6.3.1
traitlets: 5.9.0
typing-extensions: 4.5.0
tzdata: 2023.3
urllib3: 1.26.15
wcwidth: 0.2.6
webcolors: 1.12
wheel: 0.38.4
wheel-filename: 1.4.1
widgetsnbextension: 4.0.7
WMI: 1.5.1
zipp: 3.15.0
Change History (2)
comment:1 by , 2 years ago
| Component: | Unassigned → Structure Comparison |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → KeyError matching selected regions |
comment:2 by , 2 years ago
| Resolution: | → duplicate |
|---|---|
| Status: | accepted → closed |
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