Opened 15 months ago

Last modified 15 months ago

#15657 assigned defect

Qt fatal error: Failed to initialize graphics backend for OpenGL

Reported by: chimerax-bug-report@… Owned by: Greg Couch
Priority: normal Milestone:
Component: Window Toolkit Version:
Keywords: Cc: Tom Goddard
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        macOS-14.3.1-x86_64-i386-64bit
ChimeraX Version: 1.7.1 (2024-01-23 01:58:08 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Qt fatal error: Failed to initialize graphics backend for OpenGL.
Fatal Python error: Aborted

Current thread 0x0000000202915240 (most recent call first):
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 861 in rapid_access_shown
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 198 in build
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 722 in init
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1069 in 
  File "", line 88 in _run_code
  File "", line 198 in _run_module_as_main

Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtWebChannel, PyQt6.QtNetwork, PyQt6.QtWebEngineCore, PyQt6.QtPrintSupport, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.map._map, charset_normalizer.md, PIL._imaging, matplotlib._c_internal_utils, matplotlib._path, kiwisolver._cext, matplotlib._image, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.surface._surface, chimerax.pdb_lib._load_libs, chimerax.core._mac_util (total: 45)


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  "procLaunch" : "2024-07-24 08:49:28.2132 +0900",
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  "procExitAbsTime" : 33412498390583,
  "procName" : "ChimeraX",
  "procPath" : "\/Applications\/ChimeraX-1.7.1.app\/Contents\/MacOS\/ChimeraX",
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  "coalitionName" : "edu.ucsf.cgl.ChimeraX",
  "crashReporterKey" : "286E4181-0333-903E-6993-0E6928266046",
  "codeSigningID" : "edu.ucsf.cgl.ChimeraX",
  "codeSigningTeamID" : "LWV8X224YF",
  "codeSigningFlags" : 570491649,
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  "wakeTime" : 3115,
  "sleepWakeUUID" : "950F7167-9679-4728-9024-0CE8A139C9EF",
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  "termination" : {"flags":0,"code":6,"namespace":"SIGNAL","indicator":"Abort trap: 6","byProc":"ChimeraX","byPid":21703},
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Log:
UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/AtCENH3-nuc_Tal1_EVADE.cxs

Log from Tue Jul 2 13:03:40 2024 Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_cc_hsch3_nuc_601/fold_cc_hsch3_nuc_601_model_0.cif

Chain information for fold_cc_hsch3_nuc_601_model_0.cif #1  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I | .  
J | .  
K | .  
  

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_cc_hsch3_nuc_601/fold_cc_hsch3_nuc_601_model_1.cif

Chain information for fold_cc_hsch3_nuc_601_model_1.cif #2  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I | .  
J | .  
K | .  
  

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_cc_hsch3_nuc_601/fold_cc_hsch3_nuc_601_model_2.cif

Chain information for fold_cc_hsch3_nuc_601_model_2.cif #3  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I | .  
J | .  
K | .  
  

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_cc_hsch3_nuc_601/fold_cc_hsch3_nuc_601_model_3.cif

Chain information for fold_cc_hsch3_nuc_601_model_3.cif #4  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I | .  
J | .  
K | .  
  

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_cc_hsch3_nuc_601/fold_cc_hsch3_nuc_601_model_4.cif

Chain information for fold_cc_hsch3_nuc_601_model_4.cif #5  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I | .  
J | .  
K | .  
  

> hide #2 models

> hide #3 models

> hide #4 models

> hide #5 models

> ui tool show "Show Sequence Viewer"

> sequence chain #1/K

Alignment identifier is 1/K  

> ui tool show "Show Sequence Viewer"

> sequence chain #1/K

Alignment identifier is 1/K  

> ui tool show "Show Sequence Viewer"

> sequence chain #1/J

Alignment identifier is 1/J  

> ui tool show "Show Sequence Viewer"

> sequence chain #1/I

Alignment identifier is 1/I  

> select #1/I:426

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/I:426-537

908 atoms, 921 bonds, 112 residues, 1 model selected  

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_cc_short_ch3_nuc_601/fold_cc_short_ch3_nuc_601_model_0.cif

Chain information for fold_cc_short_ch3_nuc_601_model_0.cif #6  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I | .  
J | .  
K | .  
  

> ui tool show "Show Sequence Viewer"

> sequence chain #6/I

Alignment identifier is 6/I  

> hide #1 models

> select #6/I:62-112

427 atoms, 433 bonds, 51 residues, 1 model selected  

> select #6/I:57-112

461 atoms, 467 bonds, 56 residues, 1 model selected  

> hide #6 models

> show #1 models

> select #1/I:537-538

15 atoms, 14 bonds, 2 residues, 1 model selected  

> select #1/I:517-538

189 atoms, 193 bonds, 22 residues, 1 model selected  

> select #1/I

7502 atoms, 7630 bonds, 943 residues, 1 model selected  

> 1-425

Unknown command: 1-425  

> select #1/I

7502 atoms, 7630 bonds, 943 residues, 1 model selected  

> 1:425

Unknown command: 1:425  

> select #1/I

7502 atoms, 7630 bonds, 943 residues, 1 model selected  

> 1 425

Unknown command: 1 425  

> select #1/I

7502 atoms, 7630 bonds, 943 residues, 1 model selected  

> 425

Unknown command: 425  

> select #1/I: 425

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #1/I: 1-425

3372 atoms, 3429 bonds, 425 residues, 1 model selected  

> hide sel cartoons

> hide sel atoms

> select #1/I: 538--943

Nothing selected  

> select #1/I: 538-943

3222 atoms, 3278 bonds, 406 residues, 1 model selected  

> hide sel atoms

> hide sel cartoons

> select #1/I:517-538

189 atoms, 193 bonds, 22 residues, 1 model selected  

> select #1/I:538

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #1/I:522-538

149 atoms, 153 bonds, 17 residues, 1 model selected  

> select #1/E,F

2244 atoms, 2296 bonds, 278 residues, 1 model selected  

> show #6 models

> ui tool show Matchmaker

> matchmaker #6/E to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_cc_short_ch3_nuc_601_model_0.cif, chain E (#6), sequence alignment score
= 601.8  
RMSD between 97 pruned atom pairs is 0.254 angstroms; (across all 139 pairs:
15.946)  
  

> ui tool show Matchmaker

> matchmaker #6/F to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_cc_short_ch3_nuc_601_model_0.cif, chain F (#6), sequence alignment score
= 601.8  
RMSD between 97 pruned atom pairs is 0.258 angstroms; (across all 139 pairs:
16.298)  
  

> matchmaker #6/F to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_cc_short_ch3_nuc_601_model_0.cif, chain F (#6), sequence alignment score
= 601.8  
RMSD between 97 pruned atom pairs is 0.258 angstroms; (across all 139 pairs:
16.298)  
  

> select clear

> select #1/I

7502 atoms, 7630 bonds, 943 residues, 1 model selected  

> color sel red

> select #1/A-H

7742 atoms, 7864 bonds, 990 residues, 1 model selected  

> color sel light gray

> select #1/E,F

2244 atoms, 2296 bonds, 278 residues, 1 model selected  

> color sel light sea green

> select #1/J,K

6931 atoms, 7774 bonds, 338 residues, 1 model selected  

> color sel light gray

> select #6/J,K

6931 atoms, 7774 bonds, 338 residues, 1 model selected  

> color sel light gray

> select #6/A-H

7742 atoms, 7864 bonds, 990 residues, 1 model selected  

> color sel light gray

> select #6/E,F

2244 atoms, 2296 bonds, 278 residues, 1 model selected  

> color sel lime

> select #6/I

909 atoms, 922 bonds, 112 residues, 1 model selected  

> color sel orange

> hide #6 models

> show #6 models

> select add #1

23084 atoms, 24190 bonds, 2383 residues, 2 models selected  

> select add #6

37757 atoms, 39828 bonds, 3711 residues, 2 models selected  

> show sel cartoons

> hide sel atoms

> select clear

> select #1/I: 1-425

3372 atoms, 3429 bonds, 425 residues, 1 model selected  

> hide sel cartoons

> select #1/I: 538-943

3222 atoms, 3278 bonds, 406 residues, 1 model selected  

> hide sel cartoons

> save
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/HsCENH3-nuc_CCfull_CC426-537.cxs

> open /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/6mup.pdb

6mup.pdb title:  
Cenp-A nucleosome bound by two copies of cenp-C(Cd) and two copies cenp-N(NT)
[more info...]  
  
Chain information for 6mup.pdb #7  
---  
Chain | Description | UniProt  
A E | histone H3-like centromeric protein A | CENPA_HUMAN 38-139  
B F | histone H4 | H4_HUMAN 8-101  
C G | histone H2A/L | H2A1C_HUMAN 13-117  
D H | histone H2B type 2-F | H2B2F_HUMAN 33-124  
I | DNA (147-mer) |  
J | DNA (147-mer) |  
K L | centromere protein C | CENPC_HUMAN 518-537  
M N | centromere protein N | CENPN_HUMAN 1-212  
  

> open /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/6se6.pdb

6se6.pdb title:  
CLASS2 : cenp-A nucleosome In complex with cenp-C central region [more
info...]  
  
Chain information for 6se6.pdb #8  
---  
Chain | Description | UniProt  
A E | histone H3-like centromeric protein A | CENPA_HUMAN 1-140  
B F | histone H4 | H4_HUMAN 0-102  
C G | histone H2A type 2-A | H2A2A_HUMAN 0-129  
D H | histone H2B type 1-C/E/F/G/I | H2B1C_HUMAN 0-125  
I | DNA (145-mer) |  
J | DNA (145-mer) |  
V | centromere protein C | CENPC_HUMAN 426-537  
  

> select #7/A,E

1623 atoms, 1653 bonds, 203 residues, 1 model selected  

> select add #7

15803 atoms, 16702 bonds, 2 pseudobonds, 1518 residues, 2 models selected  

> select add #8

27871 atoms, 29582 bonds, 2 pseudobonds, 2579 residues, 3 models selected  

> hide sel atoms

> show sel cartoons

> color (#8#!7 & sel) light gray

> select #7/A,E

1623 atoms, 1653 bonds, 203 residues, 1 model selected  

> color sel forest green

> select #8/A,E

1624 atoms, 1654 bonds, 196 residues, 1 model selected  

> color sel forest green

> ui tool show Matchmaker

> matchmaker #7/A to #6/E 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 fold_cc_short_ch3_nuc_601_model_0.cif, chain E (#6) with 6mup.pdb,
chain A (#7), sequence alignment score = 440.4  
RMSD between 90 pruned atom pairs is 0.526 angstroms; (across all 102 pairs:
1.235)  
  

> matchmaker #7/A to #6/E 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 fold_cc_short_ch3_nuc_601_model_0.cif, chain E (#6) with 6mup.pdb,
chain A (#7), sequence alignment score = 440.4  
RMSD between 90 pruned atom pairs is 0.526 angstroms; (across all 102 pairs:
1.235)  
  

> select #7/K,L

343 atoms, 351 bonds, 39 residues, 1 model selected  

> color sel magenta

> select clear

> hide #8 models

> save
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/HsCENH3-nuc_CCfull_CC426-537.cxs

> hide #2-5 target m

> close #2-5

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_ch3_nuc_601/fold_ch3_nuc_601_model_0.cif

Chain information for fold_ch3_nuc_601_model_0.cif #2  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I | .  
J | .  
  

> ui tool show Matchmaker

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_hsch3_nuc_601/fold_hsch3_nuc_601_model_0.cif

Chain information for fold_hsch3_nuc_601_model_0.cif #3  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I | .  
J | .  
  

> hide #6 models

> hide #!7 models

> hide #1 models

> select #2,3

30170 atoms, 32104 bonds, 2784 residues, 2 models selected  

> color sel light gray

> hide sel atoms

> show sel cartoons

> select #2,3/E,F

4996 atoms, 5098 bonds, 632 residues, 2 models selected  

> color sel cyan

> show #1 models

> ui tool show Matchmaker

> matchmaker #2/E to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_model_0.cif, chain E (#2), sequence alignment score = 96.8  
RMSD between 50 pruned atom pairs is 0.967 angstroms; (across all 89 pairs:
14.355)  
  

> matchmaker #3/E to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_hsch3_nuc_601_model_0.cif, chain E (#3), sequence alignment score = 118.7  
RMSD between 50 pruned atom pairs is 1.037 angstroms; (across all 90 pairs:
13.968)  
  

> matchmaker #3/E to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_hsch3_nuc_601_model_0.cif, chain E (#3), sequence alignment score = 118.7  
RMSD between 50 pruned atom pairs is 1.037 angstroms; (across all 90 pairs:
13.968)  
  

> select add #3

17425 atoms, 18440 bonds, 1682 residues, 2 models selected  

> select add #2

30170 atoms, 32104 bonds, 2784 residues, 2 models selected  

> select subtract #3

15497 atoms, 16466 bonds, 1456 residues, 1 model selected  

> select subtract #2

Nothing selected  

> hide #2 models

> hide #3 models

> show #2 models

> hide #1 models

> show #1 models

> hide #2 models

> show #2 models

> ui tool show Matchmaker

> matchmaker #2/E to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_ch3_nuc_601_model_0.cif, chain E (#2), sequence alignment score = 233.6  
RMSD between 86 pruned atom pairs is 0.451 angstroms; (across all 114 pairs:
17.583)  
  

> matchmaker #2/F to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_ch3_nuc_601_model_0.cif, chain F (#2), sequence alignment score = 233.6  
RMSD between 86 pruned atom pairs is 0.453 angstroms; (across all 114 pairs:
16.825)  
  

> matchmaker #2/F to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_ch3_nuc_601_model_0.cif, chain F (#2), sequence alignment score = 233.6  
RMSD between 86 pruned atom pairs is 0.453 angstroms; (across all 114 pairs:
16.825)  
  

> show #3 models

> hide #1 models

> ui tool show Matchmaker

> matchmaker #3/F to #2/F 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 fold_ch3_nuc_601_model_0.cif, chain F (#2) with
fold_hsch3_nuc_601_model_0.cif, chain F (#3), sequence alignment score = 320.9  
RMSD between 80 pruned atom pairs is 0.461 angstroms; (across all 134 pairs:
35.917)  
  

> matchmaker #3/F to #2/F 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 fold_ch3_nuc_601_model_0.cif, chain F (#2) with
fold_hsch3_nuc_601_model_0.cif, chain F (#3), sequence alignment score = 320.9  
RMSD between 80 pruned atom pairs is 0.461 angstroms; (across all 134 pairs:
35.917)  
  

> hide #2 models

> show #1 models

> save
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/AtvsHsCENH3-nuc_CCfull_CC426-537.cxs

> hide #3 models

> show #3 models

> hide #1 models

> show #1 models

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_ch3_nuc_601_atcc_full/fold_ch3_nuc_601_atcc_full_model_0.cif

Chain information for fold_ch3_nuc_601_atcc_full_model_0.cif #4  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I | .  
J | .  
K | .  
  

> select #4

21050 atoms, 22126 bonds, 2161 residues, 1 model selected  

> color sel light gray

> select #4/E,f

2752 atoms, 2802 bonds, 354 residues, 1 model selected  

> select #4/E,F

2752 atoms, 2802 bonds, 354 residues, 1 model selected  

> color sel cyan

> select #4

21050 atoms, 22126 bonds, 2161 residues, 1 model selected  

> hide sel atoms

> show sel cartoons

> select #4/K

3484 atoms, 3911 bonds, 169 residues, 1 model selected  

> select #4/I

5553 atoms, 5660 bonds, 705 residues, 1 model selected  

> color sel yellow

> ui tool show Matchmaker

> matchmaker #4/F to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_ch3_nuc_601_atcc_full_model_0.cif, chain F (#4), sequence alignment score
= 308  
RMSD between 85 pruned atom pairs is 0.426 angstroms; (across all 135 pairs:
15.366)  
  

> matchmaker #4/E to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_ch3_nuc_601_atcc_full_model_0.cif, chain E (#4), sequence alignment score
= 308  
RMSD between 85 pruned atom pairs is 0.440 angstroms; (across all 135 pairs:
14.027)  
  

> matchmaker #4/E to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_ch3_nuc_601_atcc_full_model_0.cif, chain E (#4), sequence alignment score
= 308  
RMSD between 85 pruned atom pairs is 0.440 angstroms; (across all 135 pairs:
14.027)  
  

> ui tool show Matchmaker

> matchmaker #4/E to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_ch3_nuc_601_atcc_full_model_0.cif, chain E (#4), sequence alignment score
= 308  
RMSD between 85 pruned atom pairs is 0.440 angstroms; (across all 135 pairs:
14.027)  
  

> matchmaker #3/F to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_hsch3_nuc_601_model_0.cif, chain F (#3), sequence alignment score = 604.8  
RMSD between 8 pruned atom pairs is 1.210 angstroms; (across all 139 pairs:
24.773)  
  

> matchmaker #3/E to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_hsch3_nuc_601_model_0.cif, chain E (#3), sequence alignment score = 604.8  
RMSD between 8 pruned atom pairs is 1.222 angstroms; (across all 139 pairs:
24.430)  
  

> matchmaker #3/E to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_hsch3_nuc_601_model_0.cif, chain E (#3), sequence alignment score = 604.8  
RMSD between 8 pruned atom pairs is 1.222 angstroms; (across all 139 pairs:
24.430)  
  

> hide #4 models

> select add #4

21050 atoms, 22126 bonds, 2161 residues, 1 model selected  

> select subtract #4

Nothing selected  

> ui tool show Matchmaker

> matchmaker #3/E to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_hsch3_nuc_601_model_0.cif, chain E (#3), sequence alignment score = 604.8  
RMSD between 8 pruned atom pairs is 1.222 angstroms; (across all 139 pairs:
24.430)  
  

> matchmaker #3/F to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_hsch3_nuc_601_model_0.cif, chain F (#3), sequence alignment score = 604.8  
RMSD between 8 pruned atom pairs is 1.210 angstroms; (across all 139 pairs:
24.773)  
  

> select #1/E

1122 atoms, 1148 bonds, 139 residues, 1 model selected  

> select #3/E

1122 atoms, 1148 bonds, 139 residues, 1 model selected  

> hide #3 models

> show #3 models

> hide #1 models

> show #1 models

> ui tool show Matchmaker

> matchmaker #3/E to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_hsch3_nuc_601_model_0.cif, chain E (#3), sequence alignment score = 604.8  
RMSD between 8 pruned atom pairs is 1.222 angstroms; (across all 139 pairs:
24.430)  
  

> matchmaker #3/E to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_hsch3_nuc_601_model_0.cif, chain E (#3), sequence alignment score = 604.8  
RMSD between 8 pruned atom pairs is 1.222 angstroms; (across all 139 pairs:
24.430)  
  

> ui tool show Matchmaker

> matchmaker #3/E to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_hsch3_nuc_601_model_0.cif, chain E (#3), sequence alignment score = 118.7  
RMSD between 50 pruned atom pairs is 1.037 angstroms; (across all 90 pairs:
13.968)  
  

> ui tool show Matchmaker

> matchmaker #3/F to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_hsch3_nuc_601_model_0.cif, chain F (#3), sequence alignment score = 118.7  
RMSD between 49 pruned atom pairs is 1.012 angstroms; (across all 90 pairs:
13.942)  
  

> matchmaker #3/E to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_hsch3_nuc_601_model_0.cif, chain E (#3), sequence alignment score = 604.8  
RMSD between 8 pruned atom pairs is 1.222 angstroms; (across all 139 pairs:
24.430)  
  

> matchmaker #3/F to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_hsch3_nuc_601_model_0.cif, chain F (#3), sequence alignment score = 604.8  
RMSD between 8 pruned atom pairs is 1.210 angstroms; (across all 139 pairs:
24.773)  
  

> matchmaker #3/A to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_hsch3_nuc_601_model_0.cif, chain A (#3), sequence alignment score = 578.1  
RMSD between 106 pruned atom pairs is 0.202 angstroms; (across all 129 pairs:
4.154)  
  

> matchmaker #3/B to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_hsch3_nuc_601_model_0.cif, chain B (#3), sequence alignment score = 578.1  
RMSD between 106 pruned atom pairs is 0.202 angstroms; (across all 129 pairs:
4.327)  
  

> matchmaker #3/B to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_hsch3_nuc_601_model_0.cif, chain B (#3), sequence alignment score = 578.1  
RMSD between 106 pruned atom pairs is 0.202 angstroms; (across all 129 pairs:
4.327)  
  

> select add #3

14673 atoms, 15638 bonds, 1328 residues, 1 model selected  

> select subtract #3

Nothing selected  

> show #4 models

> hide #3 models

> hide #1 models

> show #3 models

> hide #3 models

> show #1 models

> ui tool show Matchmaker

> matchmaker #4/E to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_atcc_full_model_0.cif, chain E (#4), sequence alignment score
= 103.6  
RMSD between 48 pruned atom pairs is 0.938 angstroms; (across all 96 pairs:
18.224)  
  

> matchmaker #4/E to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_atcc_full_model_0.cif, chain E (#4), sequence alignment score
= 103.6  
RMSD between 48 pruned atom pairs is 0.938 angstroms; (across all 96 pairs:
18.224)  
  

> ui tool show Matchmaker

> matchmaker #4/F to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_ch3_nuc_601_atcc_full_model_0.cif, chain F (#4), sequence alignment score
= 308  
RMSD between 85 pruned atom pairs is 0.426 angstroms; (across all 135 pairs:
15.366)  
  

> ui tool show Matchmaker

> matchmaker #4/E to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_ch3_nuc_601_atcc_full_model_0.cif, chain E (#4), sequence alignment score
= 308  
RMSD between 85 pruned atom pairs is 0.440 angstroms; (across all 135 pairs:
14.027)  
  

> matchmaker #4/E to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_ch3_nuc_601_atcc_full_model_0.cif, chain E (#4), sequence alignment score
= 308  
RMSD between 85 pruned atom pairs is 0.440 angstroms; (across all 135 pairs:
14.027)  
  

> ui tool show Matchmaker

> matchmaker #4/E to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_ch3_nuc_601_atcc_full_model_0.cif, chain E (#4), sequence alignment score
= 308  
RMSD between 85 pruned atom pairs is 0.440 angstroms; (across all 135 pairs:
14.027)  
  

> matchmaker #4/F to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_ch3_nuc_601_atcc_full_model_0.cif, chain F (#4), sequence alignment score
= 308  
RMSD between 85 pruned atom pairs is 0.426 angstroms; (across all 135 pairs:
15.366)  
  

> matchmaker #4/F to #1/E 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 fold_cc_hsch3_nuc_601_model_0.cif, chain E (#1) with
fold_ch3_nuc_601_atcc_full_model_0.cif, chain F (#4), sequence alignment score
= 308  
RMSD between 85 pruned atom pairs is 0.426 angstroms; (across all 135 pairs:
15.366)  
  

> save
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/AtvsHsCENH3-nuc_CCfull_CC426-537.cxs

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_tal1_dimer/fold_tal1_dimer_model_0.cif

Chain information for fold_tal1_dimer_model_0.cif #5  
---  
Chain | Description  
A B | .  
  

> close #5

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_tal1_integrase_long_dimer/fold_tal1_integrase_long_dimer_model_0.cif

Chain information for fold_tal1_integrase_long_dimer_model_0.cif #5  
---  
Chain | Description  
A | .  
  

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_evade_integrase_long_dimer/fold_evade_integrase_long_dimer_model_0.cif

Chain information for fold_evade_integrase_long_dimer_model_0.cif #9  
---  
Chain | Description  
A | .  
  

> hide #1 models

> hide #4 models

> ui tool show Matchmaker

> matchmaker #9/A to #5/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 fold_tal1_integrase_long_dimer_model_0.cif, chain A (#5) with
fold_evade_integrase_long_dimer_model_0.cif, chain A (#9), sequence alignment
score = 2141.7  
RMSD between 249 pruned atom pairs is 0.422 angstroms; (across all 510 pairs:
28.859)  
  

> matchmaker #9/A to #5/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 fold_tal1_integrase_long_dimer_model_0.cif, chain A (#5) with
fold_evade_integrase_long_dimer_model_0.cif, chain A (#9), sequence alignment
score = 2141.7  
RMSD between 249 pruned atom pairs is 0.422 angstroms; (across all 510 pairs:
28.859)  
  

> ui tool show "Show Sequence Viewer"

> sequence chain #5/A

Alignment identifier is 5/A  

> select #5/A:55-56

16 atoms, 16 bonds, 2 residues, 1 model selected  

> select #5/A:55-108

419 atoms, 432 bonds, 54 residues, 1 model selected  

> select #5/A:56

10 atoms, 10 bonds, 1 residue, 1 model selected  

> select #5/A:56-310

2057 atoms, 2111 bonds, 255 residues, 1 model selected  

> select #5/A:6-56

381 atoms, 389 bonds, 51 residues, 1 model selected  

> select #5/A:6-107

778 atoms, 799 bonds, 102 residues, 1 model selected  

> select #5/A:56

10 atoms, 10 bonds, 1 residue, 1 model selected  

> select #5/A:56-496

3542 atoms, 3633 bonds, 441 residues, 1 model selected  

> select #5/A:481

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #5/A:481-490

88 atoms, 92 bonds, 10 residues, 1 model selected  

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_ch3_nuc_601_tal1_int_long_dimer/fold_ch3_nuc_601_tal1_int_long_dimer_model_0.cif

Chain information for fold_ch3_nuc_601_tal1_int_long_dimer_model_0.cif #10  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I J | .  
K | .  
L | .  
  

> select add #10

24217 atoms, 25406 bonds, 2550 residues, 2 models selected  

> select add #5

28445 atoms, 29738 bonds, 3082 residues, 2 models selected  

> select subtract #5

24129 atoms, 25314 bonds, 2540 residues, 1 model selected  

> hide sel atoms

> show sel cartoons

> color sel light gray

> select #3/K

Nothing selected  

> select #10/K

3447 atoms, 3863 bonds, 169 residues, 1 model selected  

> select #10/I,J

8632 atoms, 8848 bonds, 1084 residues, 1 model selected  

> color sel hot pink

> hide #9 models

> color sel cornflower blue

> select clear

> ui tool show "Show Sequence Viewer"

> sequence chain #10/I

Alignment identifier is 10/I  

> select #10/I:481

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #10/I:481-490

88 atoms, 92 bonds, 10 residues, 1 model selected  

> select #5/A:481

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #5/A:481-490

88 atoms, 92 bonds, 10 residues, 1 model selected  

> select #10/I:481

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #10/I:481-490

88 atoms, 92 bonds, 10 residues, 1 model selected  

> hide #5 models

> select #10/I:490

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #10/I:490

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #10/E,F

2752 atoms, 2802 bonds, 354 residues, 1 model selected  

> color sel lime

> select clear

> show #5 models

> hide #10 models

> select #5/A:481

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #5/A:481-490

88 atoms, 92 bonds, 10 residues, 1 model selected  

> show #10 models

> hide #5 models

> select add #5

4316 atoms, 4424 bonds, 542 residues, 1 model selected  

> select subtract #5

Nothing selected  

> select #10/I:481-482

18 atoms, 19 bonds, 2 residues, 1 model selected  

> select #10/I:481-490

88 atoms, 92 bonds, 10 residues, 1 model selected  

> show #5 models

> hide #10 models

> select #5/A:481

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #5/A:481-490

88 atoms, 92 bonds, 10 residues, 1 model selected  

> show #10 models

> hide #5 models

> select add #5

4316 atoms, 4424 bonds, 542 residues, 1 model selected  

> select subtract #5

Nothing selected  

> select #10/I:481

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #10/I:481-490

88 atoms, 92 bonds, 10 residues, 1 model selected  

> select #10/I:490-491

18 atoms, 17 bonds, 2 residues, 1 model selected  

> select #10/I:490

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #10/I:490

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select add #10

24129 atoms, 25314 bonds, 2540 residues, 1 model selected  

> select subtract #10

Nothing selected  

> select
> #10/I:59-68,74-80,88-90,92-98,155-172,186-189,191-199,212-235,240-256,260-262,267-272,294-296,349-354,359-372,484-486,490-492,513-523,531-536,538-541

1335 atoms, 1350 bonds, 158 residues, 1 model selected  

> select #10/I:490

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #10/I:490

11 atoms, 10 bonds, 1 residue, 1 model selected  

> show #4 models

> hide #10 models

> select add #10

24129 atoms, 25314 bonds, 2540 residues, 1 model selected  

> select subtract #10

Nothing selected  

> show #1 models

> hide #4 models

> show #!7 models

> hide #!7 models

> show #4 models

> show #10 models

> hide #4 models

> hide #10 models

> hide #1 models

> show #5 models

> show #9 models

> show #10 models

> hide #9 models

> hide #5 models

> show #5 models

> hide #10 models

> ui tool show "Show Sequence Viewer"

> sequence chain #5/A

Alignment identifier is 5/A  

> color #5 #9437ffff

> select #5/A:479-481

28 atoms, 28 bonds, 3 residues, 1 model selected  

> select #5/A:479-481

28 atoms, 28 bonds, 3 residues, 1 model selected  

> select #5/A:480

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #5/A:480-492

116 atoms, 121 bonds, 13 residues, 1 model selected  

> color #5 #ff2600ff

> color #5 #531b93ff

> color #5 #9437ffff

> color #5 #d783ffff

> color sel red

> select clear

> show #10 models

> hide #5 models

> ui tool show "Show Sequence Viewer"

> sequence chain #10/I

Alignment identifier is 10/I  

> select #10/I:480

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #10/I:480-492

116 atoms, 121 bonds, 13 residues, 1 model selected  

> color sel red

> show #5 models

> show #1 models

> hide #1 models

> ui tool show Matchmaker

> matchmaker #10/A to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_tal1_int_long_dimer_model_0.cif, chain A (#10), sequence
alignment score = 436  
RMSD between 102 pruned atom pairs is 0.214 angstroms; (across all 122 pairs:
4.250)  
  

> matchmaker #10/A to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_tal1_int_long_dimer_model_0.cif, chain A (#10), sequence
alignment score = 436  
RMSD between 102 pruned atom pairs is 0.214 angstroms; (across all 122 pairs:
4.250)  
  

> show #1 models

> ui tool show Matchmaker

> matchmaker #10/E to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_tal1_int_long_dimer_model_0.cif, chain E (#10), sequence
alignment score = 93.8  
RMSD between 50 pruned atom pairs is 0.979 angstroms; (across all 89 pairs:
14.792)  
  

> matchmaker #10/B to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_tal1_int_long_dimer_model_0.cif, chain B (#10), sequence
alignment score = 436  
RMSD between 102 pruned atom pairs is 0.226 angstroms; (across all 122 pairs:
4.155)  
  

> matchmaker #10/B to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_tal1_int_long_dimer_model_0.cif, chain B (#10), sequence
alignment score = 436  
RMSD between 102 pruned atom pairs is 0.226 angstroms; (across all 122 pairs:
4.155)  
  

> hide #5 models

> select #10/I:490

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #10/I:490

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #1/I

7502 atoms, 7630 bonds, 943 residues, 1 model selected  

> color sel orange

> select #10/I

4316 atoms, 4424 bonds, 542 residues, 1 model selected  

> ui tool show Matchmaker

> matchmaker #5/A to #10/I 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 fold_ch3_nuc_601_tal1_int_long_dimer_model_0.cif, chain I (#10)
with fold_tal1_integrase_long_dimer_model_0.cif, chain A (#5), sequence
alignment score = 2729.1  
RMSD between 235 pruned atom pairs is 0.452 angstroms; (across all 542 pairs:
53.406)  
  

> matchmaker #5/A to #10/I 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 fold_ch3_nuc_601_tal1_int_long_dimer_model_0.cif, chain I (#10)
with fold_tal1_integrase_long_dimer_model_0.cif, chain A (#5), sequence
alignment score = 2729.1  
RMSD between 235 pruned atom pairs is 0.452 angstroms; (across all 542 pairs:
53.406)  
  

> matchmaker #5/A to #10/I 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 fold_ch3_nuc_601_tal1_int_long_dimer_model_0.cif, chain I (#10)
with fold_tal1_integrase_long_dimer_model_0.cif, chain A (#5), sequence
alignment score = 2729.1  
RMSD between 235 pruned atom pairs is 0.452 angstroms; (across all 542 pairs:
53.406)  
  

> hide #1 models

> show #5 models

> select clear

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_ch3_nuc_601_evade_int_long_dimer/fold_ch3_nuc_601_evade_int_long_dimer_model_0.cif

Chain information for fold_ch3_nuc_601_evade_int_long_dimer_model_0.cif #11  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I J | .  
K | .  
L | .  
  

> select add #11

23779 atoms, 24954 bonds, 2476 residues, 1 model selected  

> hide sel atoms

> show sel cartoons

> ui tool show Matchmaker

> matchmaker #11/A to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_evade_int_long_dimer_model_0.cif, chain A (#11), sequence
alignment score = 436  
RMSD between 102 pruned atom pairs is 0.193 angstroms; (across all 122 pairs:
4.436)  
  

> matchmaker #11/A to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_evade_int_long_dimer_model_0.cif, chain A (#11), sequence
alignment score = 436  
RMSD between 102 pruned atom pairs is 0.193 angstroms; (across all 122 pairs:
4.436)  
  

> select subtract #11

Nothing selected  

> show #1 models

> select add #11

23779 atoms, 24954 bonds, 2476 residues, 1 model selected  

> color sel light gray

> select #11/E,F

2752 atoms, 2802 bonds, 354 residues, 1 model selected  

> color sel lime

> hide #1 models

> hide #11 models

> show #11 models

> hide #11 models

> show #11 models

> hide #11 models

> show #11 models

> hide #5 models

> hide #10 models

> select #11/I,J

8282 atoms, 8488 bonds, 1020 residues, 1 model selected  

> color sel magenta

> select clear

> show #10 models

> select #11/I

4141 atoms, 4244 bonds, 510 residues, 1 model selected  

> select #10/I

4316 atoms, 4424 bonds, 542 residues, 1 model selected  

> select #10/J

4316 atoms, 4424 bonds, 542 residues, 1 model selected  

> hide sel cartoons

> show sel cartoons

> hide sel cartoons

> select #11/J

4141 atoms, 4244 bonds, 510 residues, 1 model selected  

> select #11/I

4141 atoms, 4244 bonds, 510 residues, 1 model selected  

> hide sel cartoons

> select #11/J

4141 atoms, 4244 bonds, 510 residues, 1 model selected  

> ui tool show "Show Sequence Viewer"

> sequence chain #11/J

Alignment identifier is 11/J  

> color sel cyan

> select #11/J:455

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #11/J:455-459

49 atoms, 48 bonds, 5 residues, 1 model selected  

> select #11/J:460

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #11/J:455-460

60 atoms, 60 bonds, 6 residues, 1 model selected  

> color sel hot pink

> select #11/J:458

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #11/J:458

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 9 atom styles  

> set bgColor white

> lighting soft

> lighting simple

> lighting soft

> lighting full

> lighting shadows false

> graphics silhouettes true

> lighting soft

> lighting simple

> lighting soft

> lighting full

> lighting soft

> lighting shadows true intensity 0.5

> lighting shadows false

> select #5/A:490

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #5/A:490

11 atoms, 10 bonds, 1 residue, 1 model selected  

> style #10-11 stick

Changed 47908 atom styles  

> show #10-11 atoms

> undo

> select #10/I:490

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #10/I:490

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #10/I:490

11 atoms, 10 bonds, 1 residue, 1 model selected  

> style sel stick

Changed 11 atom styles  

> show sel atoms

> lighting full

> select clear

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_ch3_nuc_601_tal1_int_long_dimer_r892k/fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_0.cif

Chain information for fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_0.cif
#12  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I J | .  
K | .  
L | .  
  

> select add #12

24125 atoms, 25310 bonds, 2540 residues, 1 model selected  

> hide sel atoms

> show sel cartoons

> color sel light gray

> ui tool show Matchmaker

> matchmaker #12/A to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_0.cif, chain A (#12),
sequence alignment score = 446.8  
RMSD between 102 pruned atom pairs is 0.234 angstroms; (across all 122 pairs:
4.401)  
  

> select subtract #12

Nothing selected  

> select add #10

24129 atoms, 25314 bonds, 2540 residues, 1 model selected  

> select subtract #10

Nothing selected  

> select add #11

23779 atoms, 24954 bonds, 2476 residues, 1 model selected  

> select subtract #11

Nothing selected  

> hide #11 models

> select #12/J

4314 atoms, 4422 bonds, 542 residues, 1 model selected  

> select #12/I

4314 atoms, 4422 bonds, 542 residues, 1 model selected  

> select add #12

24125 atoms, 25310 bonds, 2540 residues, 1 model selected  

> select subtract #12

Nothing selected  

> select add #10

24129 atoms, 25314 bonds, 2540 residues, 1 model selected  

> hide #10 models

> select subtract #10

Nothing selected  

> select add #12

24125 atoms, 25310 bonds, 2540 residues, 1 model selected  

> show #10 models

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_ch3_nuc_601_tal1_int_long_dimer_r892k/fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_1.cif

Chain information for fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_1.cif
#13  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I J | .  
K | .  
L | .  
  

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_ch3_nuc_601_tal1_int_long_dimer_r892k/fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_2.cif

Chain information for fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_2.cif
#14  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I J | .  
K | .  
L | .  
  

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_ch3_nuc_601_tal1_int_long_dimer_r892k/fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_3.cif

Chain information for fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_3.cif
#15  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I J | .  
K | .  
L | .  
  

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_ch3_nuc_601_tal1_int_long_dimer_r892k/fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_4.cif

Chain information for fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_4.cif
#16  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I J | .  
K | .  
L | .  
  

> select subtract #12

Nothing selected  

> select add #13

24125 atoms, 25310 bonds, 2540 residues, 1 model selected  

> select add #14

48250 atoms, 50620 bonds, 5080 residues, 2 models selected  

> select add #15

72375 atoms, 75930 bonds, 7620 residues, 3 models selected  

> select add #16

96500 atoms, 101240 bonds, 10160 residues, 4 models selected  

> hide sel atoms

> show sel cartoons

> ui tool show Matchmaker

> matchmaker #13/A to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_1.cif, chain A (#13),
sequence alignment score = 437.8  
RMSD between 102 pruned atom pairs is 0.222 angstroms; (across all 122 pairs:
4.382)  
  

> matchmaker #14/A to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_2.cif, chain A (#14),
sequence alignment score = 434.2  
RMSD between 102 pruned atom pairs is 0.229 angstroms; (across all 122 pairs:
4.676)  
  

> matchmaker #15/A to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_3.cif, chain A (#15),
sequence alignment score = 423.4  
RMSD between 102 pruned atom pairs is 0.282 angstroms; (across all 122 pairs:
4.897)  
  

> matchmaker #16/A to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_4.cif, chain A (#16),
sequence alignment score = 436  
RMSD between 102 pruned atom pairs is 0.224 angstroms; (across all 122 pairs:
4.142)  
  

> matchmaker #16/A to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_4.cif, chain A (#16),
sequence alignment score = 436  
RMSD between 102 pruned atom pairs is 0.224 angstroms; (across all 122 pairs:
4.142)  
  

> hide #13 models

> hide #14 models

> hide #15 models

> select subtract #13

72375 atoms, 75930 bonds, 7620 residues, 3 models selected  

> select subtract #14

48250 atoms, 50620 bonds, 5080 residues, 2 models selected  

> select subtract #15

24125 atoms, 25310 bonds, 2540 residues, 1 model selected  

> hide #16 models

> select subtract #16

Nothing selected  

> show #16 models

> hide #12 models

> show #15 models

> hide #16 models

> ui tool show Matchmaker

> matchmaker #15/B to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_3.cif, chain B (#15),
sequence alignment score = 423.4  
RMSD between 102 pruned atom pairs is 0.287 angstroms; (across all 122 pairs:
4.662)  
  

> matchmaker #15/B to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_ch3_nuc_601_tal1_int_long_dimer_r892k_model_3.cif, chain B (#15),
sequence alignment score = 423.4  
RMSD between 102 pruned atom pairs is 0.287 angstroms; (across all 122 pairs:
4.662)  
  

> show #14 models

> hide #15 models

> show #13 models

> hide #14 models

> show #12 models

> hide #13 models

> show #11 models

> hide #12 models

> hide #11 models

> show #11 models

> hide #10 models

> show #10 models

> show #12 models

> hide #11 models

> show #11 models

> hide #12 models

> hide #10 models

> select #11/A

966 atoms, 978 bonds, 131 residues, 1 model selected  

> select #11/A,B

1932 atoms, 1956 bonds, 262 residues, 1 model selected  

> color sel red

> hide #11 models

> show #11 models

> show #9 models

> hide #9 models

> show #10 models

> hide #10 models

> hide #11 models

> show #10 models

> save
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/AtCENH3-nuc_Tal1_EVADE.cxs

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_h3_nuc_601_tal1_int_long_dimer/fold_h3_nuc_601_tal1_int_long_dimer_model_0.cif

Chain information for fold_h3_nuc_601_tal1_int_long_dimer_model_0.cif #17  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I J | .  
K | .  
L | .  
  

> select add #12

26057 atoms, 27266 bonds, 2802 residues, 2 models selected  

> select add #11

47904 atoms, 50264 bonds, 5016 residues, 2 models selected  

> select subtract #12

23779 atoms, 24954 bonds, 2476 residues, 1 model selected  

> select subtract #11

Nothing selected  

> select add #17

23509 atoms, 24672 bonds, 2456 residues, 1 model selected  

> hide sel atoms

> show sel cartoons

> color sel light gray

> select #11/I,J

8282 atoms, 8488 bonds, 1020 residues, 1 model selected  

> close #13-16

> select #17/I,J

8632 atoms, 8848 bonds, 1084 residues, 1 model selected  

> color sel hot pink

> select #17/E,F

2132 atoms, 2160 bonds, 270 residues, 1 model selected  

> color sel cornflower blue

> ui tool show Matchmaker

No reference and/or match structure/chain chosen  

> matchmaker #17/A to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_h3_nuc_601_tal1_int_long_dimer_model_0.cif, chain A (#17), sequence
alignment score = 441.4  
RMSD between 102 pruned atom pairs is 0.238 angstroms; (across all 122 pairs:
4.370)  
  

> select clear

> select #17/J

4316 atoms, 4424 bonds, 542 residues, 1 model selected  

> select #17/I

4316 atoms, 4424 bonds, 542 residues, 1 model selected  

> hide sel atoms

> hide sel cartoons

> select #17/B:112

8 atoms, 7 bonds, 1 residue, 1 model selected  

> open
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/fold_h3_nuc_601_evade_int_long_dimer/fold_h3_nuc_601_evade_int_long_dimer_model_0.cif

Chain information for fold_h3_nuc_601_evade_int_long_dimer_model_0.cif #13  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
I J | .  
K | .  
L | .  
  

> select add #17

23509 atoms, 24672 bonds, 2456 residues, 1 model selected  

> select add #13

46668 atoms, 48984 bonds, 4848 residues, 2 models selected  

> select subtract #17

23159 atoms, 24312 bonds, 2392 residues, 1 model selected  

> hide sel atoms

> show sel cartoons

> color sel light gray

> ui tool show Matchmaker

> matchmaker #13/A to #1/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 fold_cc_hsch3_nuc_601_model_0.cif, chain A (#1) with
fold_h3_nuc_601_evade_int_long_dimer_model_0.cif, chain A (#13), sequence
alignment score = 450.4  
RMSD between 102 pruned atom pairs is 0.222 angstroms; (across all 122 pairs:
4.421)  
  

> show #11 models

> hide #10 models

> hide #17 models

> select #13/I

4141 atoms, 4244 bonds, 510 residues, 1 model selected  

> hide sel cartoons

> select #13/A,B

1932 atoms, 1956 bonds, 262 residues, 1 model selected  

> hide #11 models

> show #11 models

> select add #13

23159 atoms, 24312 bonds, 2392 residues, 1 model selected  

> select subtract #13

Nothing selected  

> hide #11 models

> show #11 models

> hide #13 models

> select #13/A,B

1932 atoms, 1956 bonds, 262 residues, 1 model selected  

> select #11/A,B

1932 atoms, 1956 bonds, 262 residues, 1 model selected  

> color sel light gray

> select clear

> show #13 models

> select #11/E,F

2752 atoms, 2802 bonds, 354 residues, 1 model selected  

> color sel cornflower blue

> show #17 models

> hide #11 models

> select add #11

23779 atoms, 24954 bonds, 2476 residues, 1 model selected  

> select subtract #11

Nothing selected  

> hide #17 models

> show #17 models

> show #11 models

> hide #11 models

> show #11 models

> hide #11 models

> select #11/E,F

2752 atoms, 2802 bonds, 354 residues, 1 model selected  

> color #13,17 lime

> show #11 models

> hide #13 models

> hide #17 models

> undo

[Repeated 7 time(s)]

> hide #17 models

> hide #13 models

> show #13 models

> show #11 models

> hide #13 models

> show #10 models

> hide #11 models

> show #11 models

> select #11/E,F

2752 atoms, 2802 bonds, 354 residues, 1 model selected  

> color sel lime

> hide #10 models

> hide #11 models

> show #11 models

> select clear

> show #12 models

> hide #11 models

> show #11 models

> hide #11 models

> show #13 models

> hide #12 models

> select #13/E,F

2132 atoms, 2160 bonds, 270 residues, 1 model selected  

> color sel cornflower blue

> select #17/E,F

2132 atoms, 2160 bonds, 270 residues, 1 model selected  

> color #13 cornflower blue

> show #17 models

> hide #17 models

> select #17/E,F

2132 atoms, 2160 bonds, 270 residues, 1 model selected  

> show #17 models

> hide #13 models

> show #13 models

> hide #17 models

> select add #17

23509 atoms, 24672 bonds, 2456 residues, 1 model selected  

> select subtract #17

Nothing selected  

> select #13

23159 atoms, 24312 bonds, 2392 residues, 1 model selected  

> color sel light gray

> select #13/E,F

2132 atoms, 2160 bonds, 270 residues, 1 model selected  

> color sel cornflower blue

> select add #13

23159 atoms, 24312 bonds, 2392 residues, 1 model selected  

> select subtract #13

Nothing selected  

> show #17 models

> hide #13 models

> show #13 models

> hide #17 models

> select #13/I

4141 atoms, 4244 bonds, 510 residues, 1 model selected  

> select #13/J

4141 atoms, 4244 bonds, 510 residues, 1 model selected  

> color sel orange

> show #17 models

> select add #13

23159 atoms, 24312 bonds, 2392 residues, 1 model selected  

> select subtract #13

Nothing selected  

> hide #17 models

> show #17 models

> hide #17 models

> show #17 models

> show #12 models

> hide #13 models

> hide #12 models

> show #10 models

> show #13 models

> show #9 models

> hide #17 models

> hide #10 models

> hide #9 models

> show #11 models

> show #17 models

> hide #17 models

> save
> /Users/AkihisaOsakabe/Documents/研究/プロジェクト/塚原さん_Tal1/AF3/AtCENH3-nuc_Tal1_EVADE.cxs

——— End of log from Tue Jul 2 13:03:40 2024 ———

opened ChimeraX session  




OpenGL version: 4.1 Metal - 88
OpenGL renderer: Apple M1
OpenGL vendor: Apple

Python: 3.11.2
Locale: UTF-8
Qt version: PyQt6 6.3.1, Qt 6.3.1
Qt runtime version: 6.3.2
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro17,1
      Model Number: Z11C000D7J/A
      Chip: Unknown
      Total Number of Cores: 8 (4 performance and 4 efficiency)
      Memory: 16 GB
      System Firmware Version: 10151.81.1
      OS Loader Version: 10151.81.1

Software:

    System Software Overview:

      System Version: macOS 14.3.1 (23D60)
      Kernel Version: Darwin 23.3.0
      Time since boot: 2分 2秒

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:
        Color LCD:
          Display Type: Built-In Retina LCD
          Resolution: 2560 x 1600 Retina
          Main Display: Yes
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          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal
        DELL P2419HC:
          Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
          UI Looks like: 1920 x 1080 @ 60.00Hz
          Mirror: Off
          Online: Yes


Installed Packages:
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    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.12.4
    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: 2.2.2
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.33.3
    ChimeraX-uniprot: 2.3
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.3.2
    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: 1.1.3
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.1
    contourpy: 1.2.0
    cxservices: 1.2.2
    cycler: 0.12.1
    Cython: 0.29.33
    debugpy: 1.8.0
    decorator: 5.1.1
    docutils: 0.19
    executing: 2.0.1
    filelock: 3.9.0
    fonttools: 4.47.2
    funcparserlib: 2.0.0a0
    glfw: 2.6.4
    grako: 3.16.5
    h5py: 3.10.0
    html2text: 2020.1.16
    idna: 3.6
    ihm: 0.38
    imagecodecs: 2023.9.18
    imagesize: 1.4.1
    ipykernel: 6.23.2
    ipython: 8.14.0
    ipython-genutils: 0.2.0
    ipywidgets: 8.1.1
    jedi: 0.18.2
    Jinja2: 3.1.2
    jupyter-client: 8.2.0
    jupyter-core: 5.7.1
    jupyterlab-widgets: 3.0.9
    kiwisolver: 1.4.5
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.4
    matplotlib: 3.7.2
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.6.0
    netCDF4: 1.6.2
    networkx: 3.1
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.8
    numpy: 1.25.1
    openvr: 1.23.701
    packaging: 21.3
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pexpect: 4.9.0
    pickleshare: 0.7.5
    pillow: 10.2.0
    pip: 23.0
    pkginfo: 1.9.6
    platformdirs: 4.1.0
    prompt-toolkit: 3.0.43
    psutil: 5.9.5
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    py-cpuinfo: 9.0.0
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.16.1
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.2801
    pyparsing: 3.0.9
    pyproject-hooks: 1.0.0
    PyQt6-commercial: 6.3.1
    PyQt6-Qt6: 6.3.2
    PyQt6-sip: 13.4.0
    PyQt6-WebEngine-commercial: 6.3.1
    PyQt6-WebEngine-Qt6: 6.3.2
    python-dateutil: 2.8.2
    pytz: 2023.3.post1
    pyzmq: 25.1.2
    qtconsole: 5.4.3
    QtPy: 2.4.1
    RandomWords: 0.4.0
    requests: 2.31.0
    scipy: 1.11.1
    setuptools: 67.4.0
    setuptools-scm: 7.0.5
    sfftk-rw: 0.7.3
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.5
    sphinx: 6.1.3
    sphinx-autodoc-typehints: 1.22
    sphinxcontrib-applehelp: 1.0.8
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.6
    sphinxcontrib-htmlhelp: 2.0.5
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.7
    sphinxcontrib-serializinghtml: 1.1.10
    stack-data: 0.6.3
    superqt: 0.5.0
    tables: 3.8.0
    tcia-utils: 1.5.1
    tifffile: 2023.7.18
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.4
    traitlets: 5.9.0
    typing-extensions: 4.9.0
    tzdata: 2023.4
    urllib3: 2.1.0
    wcwidth: 0.2.13
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.9

Change History (2)

comment:1 by Eric Pettersen, 15 months ago

Cc: Tom Goddard added
Component: UnassignedWindow Toolkit
Owner: set to Greg Couch
Platform: all
Project: ChimeraX
Status: newassigned
Summary: ChimeraX bug report submissionQt fatal error: Failed to initialize graphics backend for OpenGL

comment:2 by Tom Goddard, 15 months ago

Although we see Qt fail to initialize OpenGL often on Linux, it is rare to see it on a Mac. No idea what causes the problem. The use had two displays. Mac M1 GPU. I'd guess it has something to do with the buggy Mac Qt handling of multiple displays.

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