Opened 2 days ago

Last modified 13 minutes ago

#19529 assigned defect

Crash while moving window / changing geometry in QDockWidget::event()

Reported by: howell@… Owned by: Tom Goddard
Priority: normal Milestone:
Component: Window Toolkit Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        macOS-26.2-arm64-arm-64bit
ChimeraX Version: 1.11 (2025-12-17 06:45:39 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
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{
  "uptime" : 40000,
  "procRole" : "Foreground",
  "version" : 2,
  "userID" : 502,
  "deployVersion" : 210,
  "modelCode" : "Mac15,10",
  "coalitionID" : 36496,
  "osVersion" : {
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    "build" : "25C56",
    "releaseType" : "User"
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  "captureTime" : "2025-12-20 13:33:17.5079 -0500",
  "codeSigningMonitor" : 2,
  "incident" : "9B6D859A-B18D-42F4-A781-34322652A3BA",
  "pid" : 33148,
  "translated" : false,
  "cpuType" : "ARM-64",
  "procLaunch" : "2025-12-20 13:29:34.5877 -0500",
  "procStartAbsTime" : 976556676173,
  "procExitAbsTime" : 981906467245,
  "procName" : "ChimeraX",
  "procPath" : "\/Applications\/ChimeraX-1.11.app\/Contents\/MacOS\/ChimeraX",
  "bundleInfo" : {"CFBundleShortVersionString":"1.11.0","CFBundleVersion":"1.11.0.0","CFBundleIdentifier":"edu.ucsf.cgl.ChimeraX"},
  "storeInfo" : {"deviceIdentifierForVendor":"F9756091-70CD-5154-9392-E6148B492907","thirdParty":true},
  "parentProc" : "launchd",
  "parentPid" : 1,
  "coalitionName" : "edu.ucsf.cgl.ChimeraX",
  "crashReporterKey" : "0C182869-1922-DD4F-7F6A-EE8F5CB6EFA9",
  "appleIntelligenceStatus" : {"state":"available"},
  "developerMode" : 1,
  "codeSigningID" : "edu.ucsf.cgl.ChimeraX",
  "codeSigningTeamID" : "LWV8X224YF",
  "codeSigningFlags" : 570491649,
  "codeSigningValidationCategory" : 6,
  "codeSigningTrustLevel" : 4294967295,
  "codeSigningAuxiliaryInfo" : 0,
  "instructionByteStream" : {"beforePC":"fyMD1f17v6n9AwCRFOD\/l78DAJH9e8Go\/w9f1sADX9YQKYDSARAA1A==","atPC":"AwEAVH8jA9X9e7+p\/QMAkQng\/5e\/AwCR\/XvBqP8PX9bAA1\/WcAqA0g=="},
  "bootSessionUUID" : "F536812E-1BE1-4FE6-9F73-C81A11C5D5DB",
  "wakeTime" : 2914,
  "sleepWakeUUID" : "40AD82D6-8450-44E8-8031-5F4750E13620",
  "sip" : "enabled",
  "vmRegionInfo" : "0x8 is not in any region.  Bytes before following region: 4371939320
      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL
      UNUSED SPACE AT START
--->  
      __TEXT                      104968000-10496c000    [   16K] r-x\/r-x SM=COW  \/Applications\/ChimeraX-1.11.app\/Contents\/MacOS\/ChimeraX",
  "exception" : {"codes":"0x0000000000000001, 0x0000000000000008","rawCodes":[1,8],"type":"EXC_BAD_ACCESS","signal":"SIGSEGV","subtype":"KERN_INVALID_ADDRESS at 0x0000000000000008"},
  "termination" : {"flags":0,"code":11,"namespace":"SIGNAL","indicator":"Segmentation fault: 11","byProc":"ChimeraX","byPid":33148},
  "vmregioninfo" : "0x8 is not in any region.  Bytes before following region: 4371939320
      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL
      UNUSED SPACE AT START
--->  
      __TEXT                      104968000-10496c000    [   16K] r-x\/r-x SM=COW  \/Applications\/ChimeraX-1.11.app\/Contents\/MacOS\/ChimeraX",
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  "faultingThread" : 0,
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Log:
UCSF ChimeraX version: 1.11 (2025-12-17)  
© 2016-2025 Regents of the University of California. All rights reserved.  

> open "/Users/lynnehowell/SickKids Research Dropbox/Howell Lab's shared
> workspace/Grants/CIHR 2026 PNAG-alginate/Alginate Section/Alginate
> models.cxs"

Log from Sat Dec 20 13:53:51 2025UCSF ChimeraX version: 1.11 (2025-12-17)  
© 2016-2025 Regents of the University of California. All rights reserved.  

> open "/Users/lynnehowell/SickKids Research Dropbox/Howell Lab's shared
> workspace/Grants/CIHR 2026 PNAG-alginate/Alginate Section/Alginate
> models.cxs"

Log from Fri Dec 19 16:32:43 2025UCSF ChimeraX version: 1.11 (2025-12-17)  
© 2016-2025 Regents of the University of California. All rights reserved.  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Grants/CIHR 2026 PNAG-alginate/Alginate Section/Alginate
> models.cxs" format session

Log from Thu Dec 18 15:12:06 2025UCSF ChimeraX version: 1.11 (2025-12-17)  
© 2016-2025 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844/fold_alg844_model_0.cif"

Chain information for fold_alg844_model_0.cif #1  
---  
Chain | Description  
A | .  
B | .  
  
Computing secondary structure  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844/fold_alg844_model_1.cif"

Chain information for fold_alg844_model_1.cif #2  
---  
Chain | Description  
A | .  
B | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844/fold_alg844_model_2.cif"

Chain information for fold_alg844_model_2.cif #3  
---  
Chain | Description  
A | .  
B | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844/fold_alg844_model_3.cif"

Chain information for fold_alg844_model_3.cif #4  
---  
Chain | Description  
A | .  
B | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844/fold_alg844_model_4.cif"

Chain information for fold_alg844_model_4.cif #5  
---  
Chain | Description  
A | .  
B | .  
  
Computing secondary structure  
[Repeated 3 time(s)]

> ui tool show Matchmaker

> matchmaker #2-5 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker fold_alg844_model_0.cif, chain A (#1) with fold_alg844_model_1.cif,
chain A (#2), sequence alignment score = 2607.3  
RMSD between 494 pruned atom pairs is 0.330 angstroms; (across all 494 pairs:
0.330)  
  
Matchmaker fold_alg844_model_0.cif, chain A (#1) with fold_alg844_model_2.cif,
chain A (#3), sequence alignment score = 2607.9  
RMSD between 480 pruned atom pairs is 0.395 angstroms; (across all 494 pairs:
1.285)  
  
Matchmaker fold_alg844_model_0.cif, chain A (#1) with fold_alg844_model_3.cif,
chain A (#4), sequence alignment score = 2610.9  
RMSD between 494 pruned atom pairs is 0.414 angstroms; (across all 494 pairs:
0.414)  
  
Matchmaker fold_alg844_model_0.cif, chain A (#1) with fold_alg844_model_4.cif,
chain A (#5), sequence alignment score = 2607.9  
RMSD between 480 pruned atom pairs is 0.482 angstroms; (across all 494 pairs:
1.301)  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844_dimer_g/fold_alg844_dimer_g_model_0.cif"

Chain information for fold_alg844_dimer_g_model_0.cif #6  
---  
Chain | Description  
A | .  
B C | .  
D | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844_dimer_g/fold_alg844_dimer_g_model_1.cif"

Chain information for fold_alg844_dimer_g_model_1.cif #7  
---  
Chain | Description  
A | .  
B C | .  
D | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844_dimer_g/fold_alg844_dimer_g_model_2.cif"

Chain information for fold_alg844_dimer_g_model_2.cif #8  
---  
Chain | Description  
A | .  
B C | .  
D | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844_dimer_g/fold_alg844_dimer_g_model_3.cif"

Chain information for fold_alg844_dimer_g_model_3.cif #9  
---  
Chain | Description  
A | .  
B C | .  
D | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844_dimer_g/fold_alg844_dimer_g_model_4.cif"

Chain information for fold_alg844_dimer_g_model_4.cif #10  
---  
Chain | Description  
A | .  
B C | .  
D | .  
  
Computing secondary structure  
[Repeated 4 time(s)]

> delete #6

> delete #7

> delete #8

> delete #9

> delete #10

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844kxijf/fold_alg844kxijf_model_0.cif"

Chain information for fold_alg844kxijf_model_0.cif #6  
---  
Chain | Description  
A | .  
B | .  
C | .  
D | .  
E | .  
F | .  
G | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844kxijf/fold_alg844kxijf_model_1.cif"

Chain information for fold_alg844kxijf_model_1.cif #7  
---  
Chain | Description  
A | .  
B | .  
C | .  
D | .  
E | .  
F | .  
G | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844kxijf/fold_alg844kxijf_model_2.cif"

Chain information for fold_alg844kxijf_model_2.cif #8  
---  
Chain | Description  
A | .  
B | .  
C | .  
D | .  
E | .  
F | .  
G | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844kxijf/fold_alg844kxijf_model_3.cif"

Chain information for fold_alg844kxijf_model_3.cif #9  
---  
Chain | Description  
A | .  
B | .  
C | .  
D | .  
E | .  
F | .  
G | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844kxijf/fold_alg844kxijf_model_4.cif"

Chain information for fold_alg844kxijf_model_4.cif #10  
---  
Chain | Description  
A | .  
B | .  
C | .  
D | .  
E | .  
F | .  
G | .  
  

> hide atoms

> show cartoons

Computing secondary structure  
[Repeated 4 time(s)]

> ui tool show Matchmaker

> matchmaker #6-10 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker fold_alg844_model_0.cif, chain A (#1) with
fold_alg844kxijf_model_0.cif, chain A (#6), sequence alignment score = 2602.5  
RMSD between 477 pruned atom pairs is 0.798 angstroms; (across all 494 pairs:
1.170)  
  
Matchmaker fold_alg844_model_0.cif, chain A (#1) with
fold_alg844kxijf_model_1.cif, chain A (#7), sequence alignment score = 2598.9  
RMSD between 464 pruned atom pairs is 0.769 angstroms; (across all 494 pairs:
1.167)  
  
Matchmaker fold_alg844_model_0.cif, chain A (#1) with
fold_alg844kxijf_model_2.cif, chain A (#8), sequence alignment score = 2602.5  
RMSD between 454 pruned atom pairs is 0.825 angstroms; (across all 494 pairs:
1.324)  
  
Matchmaker fold_alg844_model_0.cif, chain A (#1) with
fold_alg844kxijf_model_3.cif, chain A (#9), sequence alignment score = 2598.9  
RMSD between 463 pruned atom pairs is 0.889 angstroms; (across all 494 pairs:
1.319)  
  
Matchmaker fold_alg844_model_0.cif, chain A (#1) with
fold_alg844kxijf_model_4.cif, chain A (#10), sequence alignment score = 2602.5  
RMSD between 475 pruned atom pairs is 0.771 angstroms; (across all 494 pairs:
1.188)  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algkxijf/fold_algkxijf_model_0.cif"

Chain information for fold_algkxijf_model_0.cif #11  
---  
Chain | Description  
A | .  
B | .  
C | .  
D | .  
E | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algkxijf/fold_algkxijf_model_1.cif"

Chain information for fold_algkxijf_model_1.cif #12  
---  
Chain | Description  
A | .  
B | .  
C | .  
D | .  
E | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algkxijf/fold_algkxijf_model_2.cif"

Chain information for fold_algkxijf_model_2.cif #13  
---  
Chain | Description  
A | .  
B | .  
C | .  
D | .  
E | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algkxijf/fold_algkxijf_model_3.cif"

Chain information for fold_algkxijf_model_3.cif #14  
---  
Chain | Description  
A | .  
B | .  
C | .  
D | .  
E | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algkxijf/fold_algkxijf_model_4.cif"

Chain information for fold_algkxijf_model_4.cif #15  
---  
Chain | Description  
A | .  
B | .  
C | .  
D | .  
E | .  
  

> hide atoms

> ui tool show Matchmaker

> matchmaker #12-15 to #11

Computing secondary structure  
[Repeated 4 time(s)]  Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker fold_algkxijf_model_0.cif, chain C (#11) with
fold_algkxijf_model_1.cif, chain C (#12), sequence alignment score = 2723.2  
RMSD between 473 pruned atom pairs is 0.361 angstroms; (across all 520 pairs:
3.605)  
  
Matchmaker fold_algkxijf_model_0.cif, chain C (#11) with
fold_algkxijf_model_2.cif, chain C (#13), sequence alignment score = 2740.6  
RMSD between 490 pruned atom pairs is 0.411 angstroms; (across all 520 pairs:
3.001)  
  
Matchmaker fold_algkxijf_model_0.cif, chain C (#11) with
fold_algkxijf_model_3.cif, chain C (#14), sequence alignment score = 2737.6  
RMSD between 476 pruned atom pairs is 0.416 angstroms; (across all 520 pairs:
3.810)  
  
Matchmaker fold_algkxijf_model_0.cif, chain C (#11) with
fold_algkxijf_model_4.cif, chain C (#15), sequence alignment score = 2719  
RMSD between 470 pruned atom pairs is 0.398 angstroms; (across all 520 pairs:
4.424)  
  

> hide #1 models

> hide #2 models

> hide #3 models

> hide #4 models

> hide #5 models

> hide #6 models

> hide #7 models

> hide #8 models

> hide #9 models

> hide #10 models

> show #11-15 cartoons

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844ijf/fold_alg844ijf_model_0.cif"

Chain information for fold_alg844ijf_model_0.cif #16  
---  
Chain | Description  
A | .  
B | .  
C | .  
D | .  
E | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844ijf/fold_alg844ijf_model_1.cif"

Chain information for fold_alg844ijf_model_1.cif #17  
---  
Chain | Description  
A | .  
B | .  
C | .  
D | .  
E | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844ijf/fold_alg844ijf_model_2.cif"

Chain information for fold_alg844ijf_model_2.cif #18  
---  
Chain | Description  
A | .  
B | .  
C | .  
D | .  
E | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844ijf/fold_alg844ijf_model_3.cif"

Chain information for fold_alg844ijf_model_3.cif #19  
---  
Chain | Description  
A | .  
B | .  
C | .  
D | .  
E | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844ijf/fold_alg844ijf_model_4.cif"

Chain information for fold_alg844ijf_model_4.cif #20  
---  
Chain | Description  
A | .  
B | .  
C | .  
D | .  
E | .  
  

> hide #11-20 atoms

> show #11-20 cartoons

Computing secondary structure  
[Repeated 4 time(s)]

> ui tool show Matchmaker

> matchmaker #16-20 to #11

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 fold_algkxijf_model_0.cif, chain C (#11) with
fold_alg844ijf_model_0.cif, chain D (#16), sequence alignment score = 2672.2  
RMSD between 448 pruned atom pairs is 0.473 angstroms; (across all 520 pairs:
4.351)  
  
Matchmaker fold_algkxijf_model_0.cif, chain C (#11) with
fold_alg844ijf_model_1.cif, chain D (#17), sequence alignment score = 2684.2  
RMSD between 452 pruned atom pairs is 0.498 angstroms; (across all 520 pairs:
3.450)  
  
Matchmaker fold_algkxijf_model_0.cif, chain C (#11) with
fold_alg844ijf_model_2.cif, chain D (#18), sequence alignment score = 2669.2  
RMSD between 450 pruned atom pairs is 0.473 angstroms; (across all 520 pairs:
4.341)  
  
Matchmaker fold_algkxijf_model_0.cif, chain C (#11) with
fold_alg844ijf_model_3.cif, chain D (#19), sequence alignment score = 2669.8  
RMSD between 454 pruned atom pairs is 0.534 angstroms; (across all 520 pairs:
5.088)  
  
Matchmaker fold_algkxijf_model_0.cif, chain C (#11) with
fold_alg844ijf_model_4.cif, chain D (#20), sequence alignment score = 2653.6  
RMSD between 454 pruned atom pairs is 0.503 angstroms; (across all 520 pairs:
3.340)  
  

> hide #12 models

> hide #13 models

> hide #14 models

> hide #15 models

> hide #16 models

> hide #17 models

> hide #18 models

> hide #19 models

> hide #20 models

> show #12 models

> show #13 models

> show #14 models

> show #15 models

> hide #15 models

> hide #14 models

> hide #13 models

> hide #12 models

> hide #11 models

> show #11 models

> show #16 models

> show #17 models

> show #18 models

> show #19 models

> delete #16

> delete #17

> delete #18

> delete #19

> delete #20

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3 predictions/Alginate/7ula_XK structure.cif"

Summary of feedback from opening /Users/lynne/SickKids Research Dropbox/Howell
Lab's shared workspace/Alphafold 3 predictions/Alginate/7ula_XK structure.cif  
---  
note | Fetching CCD NI from https://files.wwpdb.org/pub/pdb/refdata/chem_comp/I/NI/NI.cif  
  
7ula_XK structure.cif title:  
Structure of the Pseudomonas putida AlgKX modification and secretion complex
[more info...]  
  
Chain information for 7ula_XK structure.cif #16  
---  
Chain | Description | UniProt  
A | Alginate biosynthesis protein AlgX | ALGX_PSEPK 1-479  
B | Alginate biosynthesis protein AlgK | ALGK_PSEPK 33-484  
  
Non-standard residues in 7ula_XK structure.cif #16  
---  
CL — chloride ion  
GOL — glycerol (glycerin; propane-1,2,3-triol)  
NI — nickel (II) ion  
  
16 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  
5622 atoms have anisotropic B-factors. Depict anisotropic information with
Thermal Ellipsoids [start tool...] or the aniso command.  

> ui tool show Matchmaker

[Repeated 1 time(s)]

> matchmaker #!16 to #11

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 fold_algkxijf_model_0.cif, chain B (#11) with 7ula_XK
structure.cif, chain A (#16), sequence alignment score = 1396.4  
RMSD between 389 pruned atom pairs is 0.767 angstroms; (across all 420 pairs:
1.711)  
  

> hide #11 models

> ui tool show "Show Sequence Viewer"

> sequence chain #16/A

Alignment identifier is 16/A  

> select clear

> select #16/A:29

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select #16/A:29-33

36 atoms, 37 bonds, 5 residues, 1 model selected  

> show #10 models

> show #11 models

> hide #10 models

> show #6 models

> ui tool show Matchmaker

> matchmaker #6-15 to #16

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 7ula_XK structure.cif, chain A (#16) with
fold_alg844kxijf_model_0.cif, chain D (#6), sequence alignment score = 1405.4  
RMSD between 390 pruned atom pairs is 0.803 angstroms; (across all 420 pairs:
1.768)  
  
Matchmaker 7ula_XK structure.cif, chain A (#16) with
fold_alg844kxijf_model_1.cif, chain D (#7), sequence alignment score = 1394  
RMSD between 388 pruned atom pairs is 0.827 angstroms; (across all 420 pairs:
1.725)  
  
Matchmaker 7ula_XK structure.cif, chain A (#16) with
fold_alg844kxijf_model_2.cif, chain D (#8), sequence alignment score = 1384.4  
RMSD between 391 pruned atom pairs is 0.798 angstroms; (across all 420 pairs:
1.696)  
  
Matchmaker 7ula_XK structure.cif, chain A (#16) with
fold_alg844kxijf_model_3.cif, chain D (#9), sequence alignment score = 1394  
RMSD between 383 pruned atom pairs is 0.863 angstroms; (across all 420 pairs:
1.773)  
  
Matchmaker 7ula_XK structure.cif, chain A (#16) with
fold_alg844kxijf_model_4.cif, chain D (#10), sequence alignment score = 1387.4  
RMSD between 388 pruned atom pairs is 0.818 angstroms; (across all 420 pairs:
1.732)  
  
Matchmaker 7ula_XK structure.cif, chain A (#16) with
fold_algkxijf_model_0.cif, chain B (#11), sequence alignment score = 1396.4  
RMSD between 389 pruned atom pairs is 0.767 angstroms; (across all 420 pairs:
1.711)  
  
Matchmaker 7ula_XK structure.cif, chain A (#16) with
fold_algkxijf_model_1.cif, chain B (#12), sequence alignment score = 1405.4  
RMSD between 387 pruned atom pairs is 0.819 angstroms; (across all 420 pairs:
1.760)  
  
Matchmaker 7ula_XK structure.cif, chain A (#16) with
fold_algkxijf_model_2.cif, chain B (#13), sequence alignment score = 1396.4  
RMSD between 388 pruned atom pairs is 0.822 angstroms; (across all 420 pairs:
1.753)  
  
Matchmaker 7ula_XK structure.cif, chain A (#16) with
fold_algkxijf_model_3.cif, chain B (#14), sequence alignment score = 1419.8  
RMSD between 390 pruned atom pairs is 0.832 angstroms; (across all 420 pairs:
1.776)  
  
Matchmaker 7ula_XK structure.cif, chain A (#16) with
fold_algkxijf_model_4.cif, chain B (#15), sequence alignment score = 1399.4  
RMSD between 392 pruned atom pairs is 0.791 angstroms; (across all 420 pairs:
1.771)  
  

> hide #11 models

> hide #6 models

> show #11 models

> show #12 models

> show #13 models

> show #14 models

> show #15 models

> hide #11 models

> show #11 models

> hide #12 models

> hide #13 models

> hide #14 models

> hide #15 models

> show #6 models

> delete #6

> delete #7

> delete #8

> delete #9

> delete #10

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algekx_minus_ss/fold_algekx_minus_ss_model_4.cif"

Chain information for fold_algekx_minus_ss_model_4.cif #6  
---  
Chain | Description  
A | .  
B | .  
C | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algekx_minus_ss/fold_algekx_minus_ss_model_1.cif"

Chain information for fold_algekx_minus_ss_model_1.cif #7  
---  
Chain | Description  
A | .  
B | .  
C | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algekx_minus_ss/fold_algekx_minus_ss_model_0.cif"

Chain information for fold_algekx_minus_ss_model_0.cif #8  
---  
Chain | Description  
A | .  
B | .  
C | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algekx_minus_ss/fold_algekx_minus_ss_model_2.cif"

Chain information for fold_algekx_minus_ss_model_2.cif #9  
---  
Chain | Description  
A | .  
B | .  
C | .  
  

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algekx_minus_ss/fold_algekx_minus_ss_model_3.cif"

Chain information for fold_algekx_minus_ss_model_3.cif #10  
---  
Chain | Description  
A | .  
B | .  
C | .  
  
Computing secondary structure  
[Repeated 4 time(s)]

> ui tool show Matchmaker

> matchmaker #6-10 to #16

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 7ula_XK structure.cif, chain A (#16) with
fold_algekx_minus_ss_model_4.cif, chain C (#6), sequence alignment score =
1390.2  
RMSD between 390 pruned atom pairs is 0.758 angstroms; (across all 420 pairs:
1.653)  
  
Matchmaker 7ula_XK structure.cif, chain A (#16) with
fold_algekx_minus_ss_model_1.cif, chain C (#7), sequence alignment score =
1403.4  
RMSD between 387 pruned atom pairs is 0.749 angstroms; (across all 420 pairs:
1.576)  
  
Matchmaker 7ula_XK structure.cif, chain A (#16) with
fold_algekx_minus_ss_model_0.cif, chain C (#8), sequence alignment score =
1384.2  
RMSD between 385 pruned atom pairs is 0.763 angstroms; (across all 420 pairs:
1.688)  
  
Matchmaker 7ula_XK structure.cif, chain A (#16) with
fold_algekx_minus_ss_model_2.cif, chain C (#9), sequence alignment score =
1383  
RMSD between 386 pruned atom pairs is 0.755 angstroms; (across all 420 pairs:
1.632)  
  
Matchmaker 7ula_XK structure.cif, chain A (#16) with
fold_algekx_minus_ss_model_3.cif, chain C (#10), sequence alignment score =
1377.6  
RMSD between 391 pruned atom pairs is 0.744 angstroms; (across all 420 pairs:
1.608)  
  

> hide #11 models

> color sel bypolymer

> color sel bychain

> color sel bypolymer

[Repeated 2 time(s)]

> hide #7 models

> hide #8 models

> hide #9 models

> hide #10 models

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3 predictions/Alginate/AlgE_3RBH.pdb"

AlgE_3RBH.pdb title:  
Structure of alginate export protein ALGE from pseudomonas aeruginosa [more
info...]  
  
Chain information for AlgE_3RBH.pdb #17  
---  
Chain | Description | UniProt  
A B C D | alginate production protein ALGE | ALGE_PSEAE 33-490  
  
Non-standard residues in AlgE_3RBH.pdb #17  
---  
C8E — (hydroxyethyloxy)tri(ethyloxy)octane  
CA — calcium ion  
EDO — 1,2-ethanediol (ethylene glycol)  
  
65 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  
12898 atoms have anisotropic B-factors. Depict anisotropic information with
Thermal Ellipsoids [start tool...] or the aniso command.  

> ui tool show Matchmaker

> matchmaker #!17 to #6

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 fold_algekx_minus_ss_model_4.cif, chain A (#6) with AlgE_3RBH.pdb,
chain B (#17), sequence alignment score = 2343.2  
RMSD between 407 pruned atom pairs is 0.512 angstroms; (across all 429 pairs:
3.730)  
  

> save "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Grants/CIHR 2026 PNAG-alginate/Alginate Section/Alginate
> models.cxs"

——— End of log from Thu Dec 18 15:12:06 2025 ———

> view name session-start

opened ChimeraX session  

> hide #!17 models

> hide #!16 models

> hide #6 models

> show #1 models

> color #1 bychain

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg844_dimer_g/fold_alg844_dimer_g_model_0.cif"

Chain information for fold_alg844_dimer_g_model_0.cif #18  
---  
Chain | Description  
A | .  
B C | .  
D | .  
  
Computing secondary structure  

> ui tool show Matchmaker

> matchmaker #18 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker fold_alg844_model_0.cif, chain A (#1) with
fold_alg844_dimer_g_model_0.cif, chain A (#18), sequence alignment score =
2611.5  
RMSD between 487 pruned atom pairs is 0.632 angstroms; (across all 494 pairs:
0.691)  
  

> color #1,18 bychain

> hide #1 models

> open "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_alg8_44/fold_alg8_44_model_0.cif"

Chain information for fold_alg8_44_model_0.cif #19  
---  
Chain | Description  
A | .  
B C | .  
  
Computing secondary structure  

> ui tool show Matchmaker

> matchmaker #19 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker fold_alg844_model_0.cif, chain A (#1) with
fold_alg8_44_model_0.cif, chain A (#19), sequence alignment score = 2610.9  
RMSD between 494 pruned atom pairs is 0.597 angstroms; (across all 494 pairs:
0.597)  
  

> color #18-19 bychain

> hide #18 models

> show #18 models

> color #18 #00fdffff

> hide #18 models

> show #18 models

> hide #18 models

> show #1 models

> show #18 models

> show #6 models

> hide #18 models

> hide #19 models

> hide #1 models

> color #6 bychain

> coulombic #6

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for fold_algekx_minus_ss_model_4.cif_A SES surface #6.1:
minimum, -22.15, mean -5.51, maximum 11.22  
Coulombic values for fold_algekx_minus_ss_model_4.cif_B SES surface #6.2:
minimum, -19.50, mean -2.49, maximum 10.83  
Coulombic values for fold_algekx_minus_ss_model_4.cif_C SES surface #6.3:
minimum, -26.63, mean -1.36, maximum 11.86  
To also show corresponding color key, enter the above coulombic command and
add key true  

> hide #!6 surfaces

> show #!17 models

> hide #!6 models

> show #!17 surfaces

> hide #!17 surfaces

> hide #!17 models

> show #!16 models

> color sel bychain

> save "/Users/lynne/SickKids Research Dropbox/Howell Lab's shared
> workspace/Grants/CIHR 2026 PNAG-alginate/Alginate Section/Alginate
> models.cxs"

——— End of log from Fri Dec 19 16:32:43 2025 ———

> view name session-start

opened ChimeraX session  

> open "/Users/lynnehowell/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algg_x/fold_algg_x_model_0.cif"

Chain information for fold_algg_x_model_0.cif #20  
---  
Chain | Description  
A | .  
B | .  
  
Computing secondary structure  

> ui tool show Matchmaker

> matchmaker #20 to #16

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 7ula_XK structure.cif, chain A (#16) with fold_algg_x_model_0.cif,
chain B (#20), sequence alignment score = 1387.8  
RMSD between 383 pruned atom pairs is 0.757 angstroms; (across all 420 pairs:
3.300)  
  

> open "/Users/lynnehowell/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algekx_minus_ss/fold_algekx_minus_ss_model_0.cif"

Chain information for fold_algekx_minus_ss_model_0.cif #21  
---  
Chain | Description  
A | .  
B | .  
C | .  
  
Computing secondary structure  

> ui tool show Matchmaker

> matchmaker #21 to #16

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 7ula_XK structure.cif, chain A (#16) with
fold_algekx_minus_ss_model_0.cif, chain C (#21), sequence alignment score =
1384.2  
RMSD between 385 pruned atom pairs is 0.763 angstroms; (across all 420 pairs:
1.688)  
  

> color sel bypolymer

[Repeated 1 time(s)]

> hide #20 models

> hide #!16 models

> select add #16

5686 atoms, 5767 bonds, 7 pseudobonds, 784 residues, 4 models selected  

> select subtract #16

Nothing selected  

> show #!16 models

> color #21#!16 bychain

> ui mousemode right translate

> select #16/A:104

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

> select up

50 atoms, 50 bonds, 6 residues, 1 model selected  

> select up

1716 atoms, 1761 bonds, 220 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel turquoise

> color sel dark turquoise

> color sel teal

> color sel dark cyan

> select clear

> hide #21 models

> show #21 models

> hide #!16 models

> show #!16 models

> select #16/A:242

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

> select up

74 atoms, 75 bonds, 9 residues, 1 model selected  

> select up

1716 atoms, 1761 bonds, 220 residues, 1 model selected  

> color sel light sea green

> align #6/A:59-161@CA toAtoms #14/A:59-161@CA

RMSD between 103 atom pairs is 16.130 angstroms  

> select #16/A:284

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

> select up

90 atoms, 92 bonds, 11 residues, 1 model selected  

> select up

1607 atoms, 1640 bonds, 210 residues, 1 model selected  

> color sel light sea green

> hide #!16 models

> select #21/C:197

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

> select up

75 atoms, 76 bonds, 10 residues, 1 model selected  

> select up

3526 atoms, 3613 bonds, 448 residues, 1 model selected  

> color sel light sea green

> select clear

> show #!16 models

> show #20 models

> select clear

[Repeated 1 time(s)]

> hide #21 models

> hide #!16 models

> select #20/B:197

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

> select up

75 atoms, 76 bonds, 10 residues, 1 model selected  

> select up

3526 atoms, 3613 bonds, 448 residues, 1 model selected  

> color sel light sea green

> select clear

> show #21 models

> show #!16 models

> open "/Users/lynnehowell/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algg_x_44/fold_algg_x_44_model_0.cif"

Chain information for fold_algg_x_44_model_0.cif #22  
---  
Chain | Description  
A | .  
B | .  
C | .  
  

> open "/Users/lynnehowell/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algg_x_44/fold_algg_x_44_model_1.cif"

Chain information for fold_algg_x_44_model_1.cif #23  
---  
Chain | Description  
A | .  
B | .  
C | .  
  

> open "/Users/lynnehowell/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algg_x_44/fold_algg_x_44_model_2.cif"

Chain information for fold_algg_x_44_model_2.cif #24  
---  
Chain | Description  
A | .  
B | .  
C | .  
  

> open "/Users/lynnehowell/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algg_x_44/fold_algg_x_44_model_3.cif"

Chain information for fold_algg_x_44_model_3.cif #25  
---  
Chain | Description  
A | .  
B | .  
C | .  
  

> open "/Users/lynnehowell/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algg_x_44/fold_algg_x_44_model_4.cif"

Chain information for fold_algg_x_44_model_4.cif #26  
---  
Chain | Description  
A | .  
B | .  
C | .  
  
Computing secondary structure  
[Repeated 4 time(s)]

> ui tool show Matchmaker

> matchmaker #22-26 to #20

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 fold_algg_x_model_0.cif, chain A (#20) with
fold_algg_x_44_model_0.cif, chain A (#22), sequence alignment score = 2572  
RMSD between 467 pruned atom pairs is 0.290 angstroms; (across all 508 pairs:
3.356)  
  
Matchmaker fold_algg_x_model_0.cif, chain A (#20) with
fold_algg_x_44_model_1.cif, chain A (#23), sequence alignment score = 2546.8  
RMSD between 447 pruned atom pairs is 0.263 angstroms; (across all 508 pairs:
10.270)  
  
Matchmaker fold_algg_x_model_0.cif, chain A (#20) with
fold_algg_x_44_model_2.cif, chain A (#24), sequence alignment score = 2564.8  
RMSD between 453 pruned atom pairs is 0.225 angstroms; (across all 508 pairs:
3.933)  
  
Matchmaker fold_algg_x_model_0.cif, chain A (#20) with
fold_algg_x_44_model_3.cif, chain A (#25), sequence alignment score = 2582.8  
RMSD between 446 pruned atom pairs is 0.355 angstroms; (across all 508 pairs:
8.046)  
  
Matchmaker fold_algg_x_model_0.cif, chain A (#20) with
fold_algg_x_44_model_4.cif, chain A (#26), sequence alignment score = 2575.6  
RMSD between 454 pruned atom pairs is 0.234 angstroms; (across all 508 pairs:
11.699)  
  

> hide #26 models

> hide #24 models

> show #24 models

> hide #24 models

> show #24 models

> hide #24 models

> hide #23 models

> show #23 models

> hide #21 models

> hide #!16 models

> hide #20 models

> show #20 models

> open "/Users/lynnehowell/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algg_44/fold_algg_44_model_0.cif"

Chain information for fold_algg_44_model_0.cif #27  
---  
Chain | Description  
A | .  
B | .  
  

> open "/Users/lynnehowell/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algg_44/fold_algg_44_model_1.cif"

Chain information for fold_algg_44_model_1.cif #28  
---  
Chain | Description  
A | .  
B | .  
  

> open "/Users/lynnehowell/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algg_44/fold_algg_44_model_2.cif"

Chain information for fold_algg_44_model_2.cif #29  
---  
Chain | Description  
A | .  
B | .  
  

> open "/Users/lynnehowell/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algg_44/fold_algg_44_model_3.cif"

Chain information for fold_algg_44_model_3.cif #30  
---  
Chain | Description  
A | .  
B | .  
  

> open "/Users/lynnehowell/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3
> predictions/Alginate/fold_algg_44/fold_algg_44_model_4.cif"

Chain information for fold_algg_44_model_4.cif #31  
---  
Chain | Description  
A | .  
B | .  
  
Computing secondary structure  
[Repeated 4 time(s)]

> save "/Users/lynnehowell/SickKids Research Dropbox/Howell Lab's shared
> workspace/Grants/CIHR 2026 PNAG-alginate/Alginate Section/Alginate
> models.cxs"

> ui tool show Matchmaker

> matchmaker #27-31 to #22

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 fold_algg_x_44_model_0.cif, chain A (#22) with
fold_algg_44_model_0.cif, chain A (#27), sequence alignment score = 2564.8  
RMSD between 456 pruned atom pairs is 0.232 angstroms; (across all 508 pairs:
4.454)  
  
Matchmaker fold_algg_x_44_model_0.cif, chain A (#22) with
fold_algg_44_model_1.cif, chain A (#28), sequence alignment score = 2557.6  
RMSD between 475 pruned atom pairs is 0.241 angstroms; (across all 508 pairs:
1.783)  
  
Matchmaker fold_algg_x_44_model_0.cif, chain A (#22) with
fold_algg_44_model_2.cif, chain A (#29), sequence alignment score = 2564.8  
RMSD between 452 pruned atom pairs is 0.240 angstroms; (across all 508 pairs:
6.558)  
  
Matchmaker fold_algg_x_44_model_0.cif, chain A (#22) with
fold_algg_44_model_3.cif, chain A (#30), sequence alignment score = 2552.8  
RMSD between 456 pruned atom pairs is 0.244 angstroms; (across all 508 pairs:
8.914)  
  
Matchmaker fold_algg_x_44_model_0.cif, chain A (#22) with
fold_algg_44_model_4.cif, chain A (#31), sequence alignment score = 2560  
RMSD between 456 pruned atom pairs is 0.187 angstroms; (across all 508 pairs:
3.763)  
  

> show #19 models

> ui tool show Matchmaker

> matchmaker #19 to #22

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 fold_algg_x_44_model_0.cif, chain C (#22) with
fold_alg8_44_model_0.cif, chain C (#19), sequence alignment score = 1934.8  
RMSD between 86 pruned atom pairs is 0.309 angstroms; (across all 389 pairs:
71.368)  
  

> hide #19 models

> hide #22 models

> hide #23 models

> hide #25 models

> show #25 models

> hide #25 models

> hide #20 models

> color #27-31 bypolymer

> hide #31 models

> hide #30 models

> hide #29 models

> hide #28 models

> show #22 models

> color #22,27 bychain

> show #23 models

> hide #23 models

> show #!16 models

> show #19 models

> hide #!16 models

> hide #22 models

> hide #27 models

> show #25 models

> hide #19 models

> color #25 bypolymer

> select #25/C:259

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

> select up

52 atoms, 51 bonds, 7 residues, 1 model selected  

> color sel red

> hide sel surfaces

> show sel surfaces

> select clear

> select #25/A:252

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select up

42 atoms, 43 bonds, 5 residues, 1 model selected  

> select up

3954 atoms, 4037 bonds, 508 residues, 1 model selected  

> show sel surfaces

> hide sel surfaces

> select clear

> open "/Users/lynnehowell/SickKids Research Dropbox/Howell Lab's shared
> workspace/Alphafold 3 predictions/Alginate/4ozy.cif"

4ozy.cif title:  
Crystal Structure of the periplasmic alginate epimerase AlgG T265N mutant
[more info...]  
  
Chain information for 4ozy.cif #32  
---  
Chain | Description | UniProt  
A | Poly(beta-D-mannuronate) C5 epimerase | ALGG_PSESM 69-491  
  
4ozy.cif mmCIF Assemblies  
---  
1| author_defined_assembly  
2| software_defined_assembly  
  
3261 atoms have anisotropic B-factors. Depict anisotropic information with
Thermal Ellipsoids [start tool...] or the aniso command.  

> ui tool show Matchmaker

> matchmaker #32 to #20

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 fold_algg_x_model_0.cif, chain A (#20) with 4ozy.cif, chain A
(#32), sequence alignment score = 1605.6  
RMSD between 405 pruned atom pairs is 0.517 angstroms; (across all 423 pairs:
0.920)  
  

> save "/Users/lynnehowell/SickKids Research Dropbox/Howell Lab's shared
> workspace/Grants/CIHR 2026 PNAG-alginate/Alginate Section/Alginate
> models.cxs"

——— End of log from Sat Dec 20 13:53:51 2025 ———

> view name session-start

opened ChimeraX session  




OpenGL version: 4.1 Metal - 90.5
OpenGL renderer: Apple M3 Max
OpenGL vendor: Apple

Python: 3.11.9
Locale: en_US.UTF-8
Qt version: PyQt6 6.9.1, Qt 6.9.0
Qt runtime version: 6.9.2
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: Mac15,10
      Model Number: MRX83LL/A
      Chip: Apple M3 Max
      Total Number of Cores: 14 (10 performance and 4 efficiency)
      Memory: 36 GB
      System Firmware Version: 13822.61.10
      OS Loader Version: 13822.61.10

Software:

    System Software Overview:

      System Version: macOS 26.2 (25C56)
      Kernel Version: Darwin 25.2.0
      Time since boot: 2 days, 4 hours, 17 minutes

Graphics/Displays:

    Apple M3 Max:

      Chipset Model: Apple M3 Max
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 30
      Vendor: Apple (0x106b)
      Metal Support: Metal 4
      Displays:
        Color LCD:
          Display Type: Built-in Liquid Retina XDR Display
          Resolution: 3024 x 1964 Retina
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal


Installed Packages:
    aiohappyeyeballs: 2.6.1
    aiohttp: 3.13.1
    aiosignal: 1.4.0
    alabaster: 1.0.0
    annotated-types: 0.7.0
    anyio: 4.12.0
    appdirs: 1.4.4
    appnope: 0.1.4
    asttokens: 3.0.1
    attrs: 25.4.0
    babel: 2.17.0
    beautifulsoup4: 4.13.5
    blockdiag: 3.0.0
    blosc2: 3.12.2
    build: 1.3.0
    certifi: 2025.7.14
    cftime: 1.6.5
    charset-normalizer: 3.4.4
    ChimeraX-AddCharge: 1.5.20
    ChimeraX-AddH: 2.2.8
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.6.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 3.1.1
    ChimeraX-AlphaFold: 1.0.1
    ChimeraX-AltlocExplorer: 1.2
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Animations: 1.0
    ChimeraX-Aniso: 1.3.2
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.61.4
    ChimeraX-AtomicLibrary: 14.2.1
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.3
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 3.0.0
    ChimeraX-Boltz: 1.1
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.2
    ChimeraX-BuildStructure: 2.13.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.6.0
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.5
    ChimeraX-ChemGroup: 2.0.2
    ChimeraX-Clashes: 2.3
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.8
    ChimeraX-CommandLine: 1.3.0
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.11
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.5
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.4
    ChimeraX-Dicom: 1.2.7
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.4
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.4.1
    ChimeraX-Hbonds: 2.5.3
    ChimeraX-Help: 1.3
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.4
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-KVFinder: 1.7.3
    ChimeraX-Label: 1.2
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.2.2
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.2
    ChimeraX-Map: 1.3
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.2.2
    ChimeraX-MCopy: 1.0
    ChimeraX-MCPServer: 0.1.0
    ChimeraX-MDcrds: 2.17.2
    ChimeraX-MedicalToolbar: 1.1
    ChimeraX-Meeting: 1.0.1
    ChimeraX-Minimize: 1.3.2
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.16
    ChimeraX-MMTF: 2.2
    ChimeraX-ModelArchive: 1.0
    ChimeraX-Modeller: 1.5.22
    ChimeraX-ModelPanel: 1.6
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0.3
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0.1
    ChimeraX-MutationScores: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.2
    ChimeraX-NMRSTAR: 1.0.2
    ChimeraX-NRRD: 1.2
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.15.2
    ChimeraX-OrthoPick: 1.0.1
    ChimeraX-PDB: 2.7.11
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.5
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1.4
    ChimeraX-ProfileGrids: 1.4.2
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.6.5
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.3.3
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.2
    ChimeraX-Scenes: 0.3.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.3
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-Segmentations: 3.5.10
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.17.3
    ChimeraX-Shape: 1.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.2.1
    ChimeraX-ShowSequences: 1.0.3
    ChimeraX-SideView: 1.0.1
    ChimeraX-SimilarStructures: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.19.1
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.2.1
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.5.2
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.2.3
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.49.1
    ChimeraX-Umap: 1.0
    ChimeraX-uniprot: 2.3.2
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDock: 1.5.2
    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: 1.1.5
    ChimeraX-Zone: 1.0.1
    click: 8.3.1
    colorama: 0.4.6
    comm: 0.2.3
    contourpy: 1.3.3
    coverage: 7.13.0
    cxservices: 1.2.3
    cycler: 0.12.1
    Cython: 3.1.4
    debugpy: 1.8.19
    decorator: 5.2.1
    docutils: 0.21.2
    executing: 2.2.1
    filelock: 3.19.1
    fonttools: 4.61.1
    frozenlist: 1.8.0
    funcparserlib: 2.0.0a0
    glfw: 2.10.0
    grako: 3.16.5
    h11: 0.16.0
    h5py: 3.15.1
    html2text: 2025.4.15
    httpcore: 1.0.9
    httpx: 0.28.1
    httpx-sse: 0.4.3
    idna: 3.11
    ihm: 2.2
    imagecodecs: 2024.6.1
    imagesize: 1.4.1
    iniconfig: 2.3.0
    ipykernel: 6.30.1
    ipython: 9.5.0
    ipython_pygments_lexers: 1.1.1
    ipywidgets: 8.1.8
    jedi: 0.19.2
    Jinja2: 3.1.6
    joblib: 1.5.0
    jsonschema: 4.25.1
    jsonschema-specifications: 2025.9.1
    jupyter_client: 8.6.3
    jupyter_core: 5.9.1
    jupyterlab_widgets: 3.0.16
    kiwisolver: 1.4.9
    line_profiler: 5.0.0
    llvmlite: 0.44.0
    lxml: 6.0.2
    lz4: 4.3.2
    Markdown: 3.8.2
    MarkupSafe: 3.0.3
    matplotlib: 3.10.7
    matplotlib-inline: 0.2.1
    mcp: 1.18.0
    msgpack: 1.1.1
    multidict: 6.7.0
    narwhals: 1.43.1
    ndindex: 1.10.1
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numba: 0.61.2
    numexpr: 2.14.1
    numpy: 2.2.6
    numpy: 1.26.4
    OpenMM: 8.2.0
    openvr: 1.26.701
    packaging: 25.0
    ParmEd: 4.2.2
    parso: 0.8.5
    pep517: 0.13.1
    pexpect: 4.9.0
    pickleshare: 0.7.5
    pillow: 11.3.0
    pip: 25.2
    pkginfo: 1.12.1.2
    platformdirs: 4.5.1
    plotly: 6.0.1
    pluggy: 1.6.0
    prompt_toolkit: 3.0.52
    propcache: 0.4.1
    psutil: 7.0.0
    ptyprocess: 0.7.0
    pure_eval: 0.2.3
    py-cpuinfo: 9.0.0
    pybind11: 3.0.1
    pycollada: 0.8
    pydantic: 2.12.5
    pydantic-settings: 2.12.0
    pydantic_core: 2.41.5
    pydicom: 2.4.4
    Pygments: 2.18.0
    pyKVFinder: 0.8.1
    pynmrstar: 3.3.6
    pynndescent: 0.5.13
    pynrrd: 1.0.0
    PyOpenGL: 3.1.10
    PyOpenGL-accelerate: 3.1.10
    pyopenxr: 1.1.4501
    pyparsing: 3.2.5
    pyproject_hooks: 1.2.0
    PyQt6-commercial: 6.9.1
    PyQt6-Qt6: 6.9.2
    PyQt6-WebEngine-commercial: 6.9.0
    PyQt6-WebEngine-Qt6: 6.9.2
    PyQt6_sip: 13.10.2
    pytest: 9.0.2
    pytest-cov: 7.0.0
    python-dateutil: 2.9.0.post0
    python-dotenv: 1.2.1
    python-multipart: 0.0.21
    pytz: 2025.2
    pyzmq: 27.1.0
    qtconsole: 5.7.0
    QtPy: 2.4.3
    qtshim: 1.2
    RandomWords: 0.4.0
    referencing: 0.37.0
    requests: 2.32.5
    roman-numerals: 4.0.0
    roman-numerals-py: 4.0.0
    rpds-py: 0.30.0
    scikit-learn: 1.6.1
    scipy: 1.14.0
    setuptools: 80.9.0
    sfftk-rw: 0.8.1
    six: 1.17.0
    snowballstemmer: 3.0.1
    sortedcontainers: 2.4.0
    soupsieve: 2.8
    Sphinx: 8.2.3
    sphinx-autodoc-typehints: 3.2.0
    sphinxcontrib-applehelp: 2.0.0
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 2.0.0
    sphinxcontrib-htmlhelp: 2.1.0
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 2.0.0
    sphinxcontrib-serializinghtml: 2.0.0
    sse-starlette: 3.0.4
    stack-data: 0.6.3
    starlette: 0.50.0
    superqt: 0.7.6
    tables: 3.10.2
    tcia_utils: 1.5.1
    threadpoolctl: 3.6.0
    tifffile: 2025.3.13
    tinyarray: 1.2.5
    tomlkit: 0.13.2
    tornado: 6.5.4
    tqdm: 4.67.1
    traitlets: 5.14.3
    typing-inspection: 0.4.2
    typing_extensions: 4.15.0
    tzdata: 2025.3
    umap-learn: 0.5.7
    urllib3: 2.6.2
    uvicorn: 0.38.0
    wcwidth: 0.2.14
    webcolors: 24.11.1
    wheel: 0.45.1
    wheel-filename: 1.4.2
    widgetsnbextension: 4.0.15
    yarl: 1.22.0

Change History (2)

comment:1 by Eric Pettersen, 56 minutes ago

Component: UnassignedWindow Toolkit
Owner: set to Tom Goddard
Platform: all
Project: ChimeraX
Status: newassigned
Summary: ChimeraX bug report submissionCrash while moving window / changing geometry

Reported by Lynne

comment:2 by Tom Goddard, 13 minutes ago

Summary: Crash while moving window / changing geometryCrash while moving window / changing geometry in QDockWidget::event()

This ChimeraX crash is caused by a bug in the Qt window toolkit, and appears to happen while resizing or moving a ChimeraX window. This has been reported before but we do not how to reproduce it. Do you you know what action (dragging window, clicking on a button, waking computer from sleep...) you were doing in ChimeraX right before it crashed? That could help us find a way to work around the crash.

In early January we will be updating the Qt version used by ChimeraX daily builds from Qt 6.9 used in the current ChimeraX 1.11 to Qt 6.10 so that could fix this crash.

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