﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
19195	Crash deleting atoms when cavities shown	dyzhou@…	Eric Pettersen	"{{{
The following bug report has been submitted:
Platform:        macOS-15.0.1-arm64-arm-64bit
ChimeraX Version: 1.10 (2025-06-26 08:57:52 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Segmentation fault

Thread 0x00000003122bf000 (most recent call first):
  File ""/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 324 in wait
  File ""/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 622 in wait
  File ""/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1392 in run
  File ""/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap

Current thread 0x00000001ef5f3240 (most recent call first):
  File ""/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molarray.py"", line 830 in delete
  File ""/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/std_commands/delete.py"", line 50 in delete_atoms
  File ""/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/cli.py"", line 3221 in run
  File ""/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/run.py"", line 49 in run
  File ""/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py"", line 1465 in 
  File ""/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py"", line 368 in event_loop
  File ""/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1057 in init
  File ""/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1220 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.QtNetwork, PyQt6.QtPrintSupport, PyQt6.QtWebChannel, PyQt6.QtWebEngineCore, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.pdb_lib._load_libs, chimerax.map._map, psutil._psutil_osx, psutil._psutil_posix, chimerax.surface._surface, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, lz4._version, lz4.frame._frame, msgpack._cmsgpack, PIL._imaging, chimerax.core._serialize, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.pdb._pdbio, lxml._elementpath, lxml.etree (total: 55)


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===== Log before crash start =====
UCSF ChimeraX version: 1.10 (2025-06-26)  
© 2016-2025 Regents of the University of California. All rights reserved.  

> open
> /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/2hf0_cavity_KVFinder.cxs

Populating font family aliases took 200 ms. Replace uses of missing font
family ""Times"" with one that exists to avoid this cost.  

Log from Fri Aug 1 14:06:38 2025UCSF ChimeraX version: 1.10 (2025-06-26)  
© 2016-2025 Regents of the University of California. All rights reserved.  

> open
> /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/Tango2_6dxx_bindingsites_compX.cxs

Log from Fri Aug 1 09:32:20 2025UCSF ChimeraX version: 1.10 (2025-06-26)  
© 2016-2025 Regents of the University of California. All rights reserved.  

> open
> /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/Tango2_6dxx_bindingsites_compX.cxs

Log from Thu Jul 31 17:28:37 2025UCSF ChimeraX version: 1.10 (2025-06-26)  
© 2016-2025 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/8sv7A.pdb format pdb

8sv7A.pdb title:  
The 1.53 angstrom structure of human TANGO2 [more info...]  
  
Chain information for 8sv7A.pdb #1  
---  
Chain | Description | UniProt  
A | transport and golgi organization protein 2 homolog | TNG2_HUMAN 1-276  
  
Non-standard residues in 8sv7A.pdb #1  
---  
SO4 — sulfate ion  
  

> select /A

2401 atoms, 2178 bonds, 1 pseudobond, 543 residues, 2 models selected  

> hide sel atoms

> ~label (#!1 & sel) residues

> ~label (#!1 & sel) atoms

> label (#!1 & sel) atoms attribute bfactor

> close session

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/8sv7A.pdb format pdb

8sv7A.pdb title:  
The 1.53 angstrom structure of human TANGO2 [more info...]  
  
Chain information for 8sv7A.pdb #1  
---  
Chain | Description | UniProt  
A | transport and golgi organization protein 2 homolog | TNG2_HUMAN 1-276  
  
Non-standard residues in 8sv7A.pdb #1  
---  
SO4 — sulfate ion  
  

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/2x1d_forcomp.pdb
> format pdb

2x1d_forcomp.pdb title:  
The crystal structure of mature acyl coenzyme A:isopenicillin N
acyltransferase from penicillium chrysogenum [more info...]  
  
Chain information for 2x1d_forcomp.pdb #2  
---  
Chain | Description  
B | acyl-coenzyme  
  
Non-standard residues in 2x1d_forcomp.pdb #2  
---  
CSD — (CSD)  
  
53 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  

> hide atoms

> ui tool show Matchmaker

> matchmaker #2 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 8sv7A.pdb, chain A (#1) with 2x1d_forcomp.pdb, chain B (#2),
sequence alignment score = 95.7  
RMSD between 38 pruned atom pairs is 1.061 angstroms; (across all 226 pairs:
6.657)  
  

> ui tool show ""Show Sequence Viewer""

> sequence chain #1/A

Alignment identifier is 1/A  

> select
> #1/A:3-8,18-29,34-40,46-51,62-65,69-75,119-125,133-138,146-147,151-155,230-231,234-245,249-257,265-273

768 atoms, 773 bonds, 94 residues, 1 model selected  

> select clear

[Repeated 1 time(s)]

> ~label #1-2 residues

> label delete pseudobonds

> select #1/A

2401 atoms, 2178 bonds, 1 pseudobond, 543 residues, 2 models selected  

> ui tool show ""Color Actions""

> color sel gray

> ui tool show ""Color Actions""

> color sel light gray

> select #2/B

2257 atoms, 2041 bonds, 514 residues, 1 model selected  

> color sel light green

[Repeated 1 time(s)]

> color sel pale green

> color sel light green

> select #1/A:3

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/A:2

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #1/A:2

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel yellow

> select #1/A:3

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/B:103

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel yellow

> ui tool show ""Modeller Comparative""

Populating font family aliases took 203 ms. Replace uses of missing font
family ""Times"" with one that exists to avoid this cost.  

> ui tool show ""Show Sequence Viewer""

> sequence chain #1/A

Alignment identifier is 1/A  

> sequence chain #2/B

Alignment identifier is 2/B  

> ui tool show ""Modeller Comparative""

> modeller comparative 1/A:1 2/B:1 numModels 5 fast false multichain true
> hetPreserve false hydrogens false waterPreserve false

Webservices job id: COBSH51IVJMNC5Z0  

> ui tool show ""Modeller Comparative""

> modeller comparative 1/A:1 2/B:1 numModels 5 fast false multichain true
> hetPreserve false hydrogens false waterPreserve false

Webservices job id: 36S2GIWY4QPCD7RA  
Webservices job finished: COBSH51IVJMNC5Z0  
Modeller job (ID COBSH51IVJMNC5Z0) finished  
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 8sv7A.pdb, chain A (#1) with target, chain A (#), sequence
alignment score = 1433.1  
RMSD between 272 pruned atom pairs is 0.155 angstroms; (across all 272 pairs:
0.155)  
  
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 8sv7A.pdb, chain A (#1) with target, chain A (#), sequence
alignment score = 1424.1  
RMSD between 272 pruned atom pairs is 0.148 angstroms; (across all 272 pairs:
0.148)  
  
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 8sv7A.pdb, chain A (#1) with target, chain A (#), sequence
alignment score = 1426.5  
RMSD between 272 pruned atom pairs is 0.148 angstroms; (across all 272 pairs:
0.148)  
  
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 8sv7A.pdb, chain A (#1) with target, chain A (#), sequence
alignment score = 1422.3  
RMSD between 272 pruned atom pairs is 0.144 angstroms; (across all 272 pairs:
0.144)  
  
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 8sv7A.pdb, chain A (#1) with target, chain A (#), sequence
alignment score = 1433.7  
RMSD between 272 pruned atom pairs is 0.166 angstroms; (across all 272 pairs:
0.166)  
  
Associated target chain A to chain A with 0 mismatches  
[Repeated 4 time(s)] Chain information for target  
---  
Chain | Description  
3.1/A 3.2/A 3.3/A 3.4/A 3.5/A | No description available  
  
Webservices job finished: 36S2GIWY4QPCD7RA  
Modeller job (ID 36S2GIWY4QPCD7RA) finished  
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 8sv7A.pdb, chain A (#1) with target, chain A (#), sequence
alignment score = 1433.1  
RMSD between 272 pruned atom pairs is 0.155 angstroms; (across all 272 pairs:
0.155)  
  
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 8sv7A.pdb, chain A (#1) with target, chain A (#), sequence
alignment score = 1424.1  
RMSD between 272 pruned atom pairs is 0.148 angstroms; (across all 272 pairs:
0.148)  
  
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 8sv7A.pdb, chain A (#1) with target, chain A (#), sequence
alignment score = 1426.5  
RMSD between 272 pruned atom pairs is 0.148 angstroms; (across all 272 pairs:
0.148)  
  
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 8sv7A.pdb, chain A (#1) with target, chain A (#), sequence
alignment score = 1422.3  
RMSD between 272 pruned atom pairs is 0.144 angstroms; (across all 272 pairs:
0.144)  
  
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 8sv7A.pdb, chain A (#1) with target, chain A (#), sequence
alignment score = 1433.7  
RMSD between 272 pruned atom pairs is 0.166 angstroms; (across all 272 pairs:
0.166)  
  
Associated target chain A to chain A with 0 mismatches  
[Repeated 4 time(s)] Chain information for target  
---  
Chain | Description  
4.1/A 4.2/A 4.3/A 4.4/A 4.5/A | No description available  
  

> select #2/B:120

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #2/B:120

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select
> #2/B:104-108,115-123,130-135,143-148,155-158,163-167,211-216,221-227,230-234,241-244,311-320,325-330,338-343

647 atoms, 649 bonds, 79 residues, 1 model selected  

> select #2/B:120

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #2/B:120

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #2/B:122

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #2/B:122

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #2/B:122-123

22 atoms, 23 bonds, 2 residues, 1 model selected  

> select #2/B:120,122-123

36 atoms, 38 bonds, 3 residues, 1 model selected  

> select #2/B:120,122-123,166

48 atoms, 50 bonds, 4 residues, 1 model selected  

> show sel atoms

> label sel text ""{0.label_one_letter_code} {0.number}{0.insertion_code}""

> label height 2

> label height 1.5

> label height 1.2

[Repeated 1 time(s)]

> select #3.1/A#3.2/A#3.3/A#3.4/A#3.5/A#4.1/A#4.2/A#4.3/A#4.4/A#4.5/A

21780 atoms, 22270 bonds, 2760 residues, 10 models selected  

> delete atoms sel

> delete bonds sel

> select #2/B:120

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #2/B:120

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #2/B:120,122

25 atoms, 26 bonds, 2 residues, 1 model selected  

> select #2/B:120,122-123

36 atoms, 38 bonds, 3 residues, 1 model selected  

> select #2/B:120,122-123,166

48 atoms, 50 bonds, 4 residues, 1 model selected  

> ui tool show ""Color Actions""

[Repeated 1 time(s)]

> color sel byhetero

> color sel byelement

> color sel byhetero

[Repeated 1 time(s)]

> undo

[Repeated 3 time(s)]

> color sel byhetero

> select #1/A:26

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #1/A:26

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #1/A:26,28

20 atoms, 18 bonds, 2 residues, 1 model selected  

> select #1/A:26,28-29

31 atoms, 30 bonds, 3 residues, 1 model selected  

> select #1/A:26,28-29,47

39 atoms, 37 bonds, 4 residues, 1 model selected  

> select #1/A:26,28-29,47

39 atoms, 37 bonds, 4 residues, 1 model selected  

> select #1/A:26,28-29,47

39 atoms, 37 bonds, 4 residues, 1 model selected  

> select #1/A:26,28-29,47

39 atoms, 37 bonds, 4 residues, 1 model selected  

> select #1/A:26,28-29,47

39 atoms, 37 bonds, 4 residues, 1 model selected  

> select #1/A:26,28-29,47

39 atoms, 37 bonds, 4 residues, 1 model selected  

> select #1/A:26,28-29,47,73

47 atoms, 44 bonds, 5 residues, 1 model selected  

> select #1/A:26,28-29,47,73

47 atoms, 44 bonds, 5 residues, 1 model selected  

> select #1/A:26,28-29,47,73

47 atoms, 44 bonds, 5 residues, 1 model selected  

> select clear

> ui tool show ""Show Sequence Viewer""

> sequence chain #1/A

Alignment identifier is 1/A  

> select #1/A:26

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #1/A:26

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #1/A:26,28

20 atoms, 18 bonds, 2 residues, 1 model selected  

> select #1/A:26,28-29

31 atoms, 30 bonds, 3 residues, 1 model selected  

> select #1/A:26,28-29,73

39 atoms, 37 bonds, 4 residues, 1 model selected  

> show sel atoms

> ui tool show ""Color Actions""

> color sel byhetero

> label sel text ""{0.label_one_letter_code} {0.number}{0.insertion_code}""

> label height 1.2

[Repeated 2 time(s)]

> color sel red target l

> select clear

> label height 1

[Repeated 1 time(s)]

> save
> /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/Tango2_2x1d_bindingsites_compX.cxs

> cartoon style width 1.2 thickness 0.2

> select #1/A:2

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #1/A:2

6 atoms, 5 bonds, 1 residue, 1 model selected  

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> color sel red target l

> select #2/B:103

8 atoms, 7 bonds, 1 residue, 1 model selected  

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> cofr sel

> view sel

[Repeated 1 time(s)]

> ui tool show ""Selection Inspector""

> ui tool show ""Side View""

> select clear

> view

[Repeated 1 time(s)]

> label height 1

> label height 0.5

> label height 0.6

[Repeated 1 time(s)]

> save
> /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/Tango2_2x1d_bindingsites_compX.cxs

[Repeated 2 time(s)]

> close session

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/2hf0_forcomp.pdb

2hf0_forcomp.pdb title:  
Bifidobacterium longum bile salt hydrolase [more info...]  
  
Chain information for 2hf0_forcomp.pdb #1  
---  
Chain | Description | UniProt  
B | bile salt hydrolase | Q9KK62_BIFLO 1-316  
  

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/8sv7A.pdb format pdb

8sv7A.pdb title:  
The 1.53 angstrom structure of human TANGO2 [more info...]  
  
Chain information for 8sv7A.pdb #2  
---  
Chain | Description | UniProt  
A | transport and golgi organization protein 2 homolog | TNG2_HUMAN 1-276  
  
Non-standard residues in 8sv7A.pdb #2  
---  
SO4 — sulfate ion  
  

> label delete pseudobonds

> cartoon style width 1.2 thickness 0.2

> hide atoms

> select #2/A

2401 atoms, 2178 bonds, 1 pseudobond, 543 residues, 2 models selected  

> ui tool show ""Color Actions""

> color sel light gray target l

[Repeated 1 time(s)]

> color sel light gray

> color sel gray

> color sel light gray

> select #1/B

2594 atoms, 2528 bonds, 447 residues, 1 model selected  

> color sel cyan

> select #2/A

2401 atoms, 2178 bonds, 1 pseudobond, 543 residues, 2 models selected  

> color sel gray

> select clear

> select #2/A

2401 atoms, 2178 bonds, 1 pseudobond, 543 residues, 2 models selected  

> color (#!2 & sel) light gray

> select clear

> select #2/A

2401 atoms, 2178 bonds, 1 pseudobond, 543 residues, 2 models selected  

> color (#!2 & sel) gray

> select clear

> ui tool show ""Show Sequence Viewer""

> sequence chain #1/B

Alignment identifier is 1/B  

> sequence chain #2/A

Alignment identifier is 2/A  

> select #2/A:2

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #2/A:2

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel yellow

> color sel byhetero

> select #1/B:1

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #1/B:1

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel yellow

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> select #2/A:2

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #2/A:2

6 atoms, 5 bonds, 1 residue, 1 model selected  

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> color sel red target l

> select clear

> ui tool show ""Show Sequence Viewer""

> select #1/B:17

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #1/B:17

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #1/B:17,20

19 atoms, 17 bonds, 2 residues, 1 model selected  

> select #1/B:17,20,81

27 atoms, 24 bonds, 3 residues, 1 model selected  

> select #1/B:17,20,81,172

35 atoms, 31 bonds, 4 residues, 1 model selected  

> select #1/B:17,20,81,172,225

46 atoms, 41 bonds, 5 residues, 1 model selected  

> show sel atoms

> color sel byhetero target l

[Repeated 1 time(s)]

> color sel byhetero

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> select #2/A:26

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #2/A:26-27

19 atoms, 18 bonds, 2 residues, 1 model selected  

> select #2/A:26-27,75

27 atoms, 25 bonds, 3 residues, 1 model selected  

> select #2/A:26-27,75,157

35 atoms, 32 bonds, 4 residues, 1 model selected  

> select #2/A:26-27,75,157,166

44 atoms, 40 bonds, 5 residues, 1 model selected  

> show sel atoms

> color sel byhetero

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> color sel red target l

> label height 0.5

> select clear

> save
> /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/Tango2_2hf0_bindingsites_compX.cxs

> ui tool show ""Side View""

[Repeated 1 time(s)]

> save
> /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/Tango2_2hf0_bindingsites_compX.cxs

> close session

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/8sv7A.pdb format pdb

8sv7A.pdb title:  
The 1.53 angstrom structure of human TANGO2 [more info...]  
  
Chain information for 8sv7A.pdb #1  
---  
Chain | Description | UniProt  
A | transport and golgi organization protein 2 homolog | TNG2_HUMAN 1-276  
  
Non-standard residues in 8sv7A.pdb #1  
---  
SO4 — sulfate ion  
  

> cartoon style width 1.2 thickness 0.2

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/5u7z_forcomp.pdb

Summary of feedback from opening
/Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/5u7z_forcomp.pdb  
---  
warnings | Cannot find LINK/SSBOND residue CYS (31 )  
Cannot find LINK/SSBOND residue CYS (31 )  
Cannot find LINK/SSBOND residue CYS (388 )  
Cannot find LINK/SSBOND residue NAG (1 )  
Cannot find LINK/SSBOND residue NAG (404 )  
9 messages similar to the above omitted  
  
5u7z_forcomp.pdb title:  
Human acid ceramidase (ASAH1, acdase) self-activated [more info...]  
  
Chain information for 5u7z_forcomp.pdb #2  
---  
Chain | Description | UniProt  
B | acid ceramidase | A8K0B6_HUMAN 141-395  
  

> ui tool show Matchmaker

> matchmaker #2 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 8sv7A.pdb, chain A (#1) with 5u7z_forcomp.pdb, chain B (#2),
sequence alignment score = 90.9  
RMSD between 56 pruned atom pairs is 1.179 angstroms; (across all 214 pairs:
7.586)  
  

> cartoon style width 1.2 thickness 0.2

> label delete pseudobonds

> hide atoms

> select #1/A

2401 atoms, 2178 bonds, 1 pseudobond, 543 residues, 2 models selected  

> ui tool show ""Color Actions""

> color sel gray target l

[Repeated 3 time(s)]

> color sel gray

> select #2/B

4071 atoms, 4107 bonds, 266 residues, 1 model selected  

> ui tool show ""Color Actions""

> color sel brown

> color sel light salmon

> color sel salmon

> select clear

> select #2/B

4071 atoms, 4107 bonds, 266 residues, 1 model selected  

> color sel light salmon

> select clear

> ui tool show ""Show Sequence Viewer""

> sequence chain #1/A

Alignment identifier is 1/A  

> sequence chain #2/B

Alignment identifier is 2/B  

> select #2/B:231

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #2/B:231-240

157 atoms, 159 bonds, 10 residues, 1 model selected  

> select #2/B:163

20 atoms, 20 bonds, 1 residue, 1 model selected  

> select #2/B:163

20 atoms, 20 bonds, 1 residue, 1 model selected  

> select #2/B:163,165

36 atoms, 35 bonds, 2 residues, 1 model selected  

> select #2/B:163,165-166

56 atoms, 56 bonds, 3 residues, 1 model selected  

> select #2/B:163,165-166,227

76 atoms, 76 bonds, 4 residues, 1 model selected  

> select #2/B:163,165-166,227,328

96 atoms, 96 bonds, 5 residues, 1 model selected  

> select #2/B:163,165-166,227,328,367

115 atoms, 114 bonds, 6 residues, 1 model selected  

> select #2/B:163,165-166,227,328,367,395

139 atoms, 139 bonds, 7 residues, 1 model selected  

> show sel atoms

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> ui tool show ""Color Actions""

> color sel byhetero

> color sel byelement

> color sel byhetero

[Repeated 1 time(s)]

> undo

[Repeated 2 time(s)]

> select H

2017 atoms, 253 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #2/B:143

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #2/B:143

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel yellow

> ui tool show ""Color Actions""

> color sel byhetero

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> select #1/A:28

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #1/A:28

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #1/A:28,78

18 atoms, 16 bonds, 2 residues, 1 model selected  

> select #1/A:28,78,235

22 atoms, 19 bonds, 3 residues, 1 model selected  

> show sel atoms

> ui tool show ""Color Actions""

> color sel byhetero

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> color sel red target l

> select #1/A:224

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel byhetero target l

> color sel byhetero

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> color sel red target l

> select #1/A:77

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select clear

[Repeated 2 time(s)]

> select #1/A:76

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select #1/A:77

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel byhetero target l

> color sel byhetero

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> color sel red target l

> select #1/A:209

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select #1/A:210

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select #1/A:209

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select #1/A:216

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select #1/A:214

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select #1/A:215

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select #1/A:213

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select #1/A:209

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select #1/A:209

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #1/A:210

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select #1/A:209

8 atoms, 7 bonds, 1 residue, 1 model selected  

> color sel byhetero

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> color sel red target l

> select #1/A:2

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #1/A:2

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel byhetero

> color sel yellow

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> color sel red target l

> select clear

> ui tool show ""Side View""

> select #1/A:78

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #1/A:77

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #1/A:78

9 atoms, 8 bonds, 1 residue, 1 model selected  

> hide sel atoms

> ~label sel residues

> select clear

> save
> /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/Tango2_5u7z_bindingsites_compX.cxs

> close session

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/8sv7A.pdb format pdb

8sv7A.pdb title:  
The 1.53 angstrom structure of human TANGO2 [more info...]  
  
Chain information for 8sv7A.pdb #1  
---  
Chain | Description | UniProt  
A | transport and golgi organization protein 2 homolog | TNG2_HUMAN 1-276  
  
Non-standard residues in 8sv7A.pdb #1  
---  
SO4 — sulfate ion  
  

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/6dxx_forcomp.pdb

Summary of feedback from opening
/Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/6dxx_forcomp.pdb  
---  
warnings | Cannot find LINK/SSBOND residue CYS (103 )  
Cannot find LINK/SSBOND residue CYS (103 )  
Cannot find LINK/SSBOND residue CYS (103 )  
Cannot find LINK/SSBOND residue ASN (37 )  
Cannot find LINK/SSBOND residue ASN (107 )  
4 messages similar to the above omitted  
  
6dxx_forcomp.pdb title:  
Human N-acylethanolamine-hydrolyzing acid amidase (naaa) In complex with non-
covalent benzothiazole-piperazine inhibitor ARN19702, In presence of triton
X-100 [more info...]  
  
Chain information for 6dxx_forcomp.pdb #2  
---  
Chain | Description | UniProt  
B | N-acylethanolamine-hydrolyzing acid amidase subunit β | NAAA_HUMAN 126-359  
  
Non-standard residues in 6dxx_forcomp.pdb #2  
---  
CL — chloride ion  
NAG — 2-acetamido-2-deoxy-β-D-glucopyranose (N-acetyl-β-D-glucosamine;
2-acetamido-2-deoxy-β-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-acetyl-D-glucosamine)  
WTF —
[2-(ethylsulfonyl)phenyl][(2S)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]methanone  
  

> hide atoms

> label delete pseudobonds

> cartoon style width 1.2 thickness 0.2

> ui tool show ""Show Sequence Viewer""

> sequence chain #1/A

Alignment identifier is 1/A  

> sequence chain #2/B

Alignment identifier is 2/B  

> select #2/B:200

24 atoms, 25 bonds, 1 residue, 1 model selected  

> select #2/B:200-202

72 atoms, 77 bonds, 3 residues, 1 model selected  

> show sel atoms

> select #2/B

3780 atoms, 3773 bonds, 296 residues, 1 model selected  

> select H

1836 atoms, 233 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #1/A

2401 atoms, 2178 bonds, 1 pseudobond, 543 residues, 2 models selected  

> ui tool show ""Color Actions""

> color sel gray target l

> color sel gray

> select #2/B

1944 atoms, 1937 bonds, 296 residues, 1 model selected  

> color sel yellow

> color sel gold

> select clear

> select #2/B:202-203

23 atoms, 24 bonds, 2 residues, 1 model selected  

> select #2/B:200-203

51 atoms, 56 bonds, 4 residues, 1 model selected  

> select #2/B:202

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #2/B:200-202

42 atoms, 47 bonds, 3 residues, 1 model selected  

> show sel atoms

> hide sel atoms

> show sel atoms

> color sel byhetero

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> select #1/A:79-80

12 atoms, 12 bonds, 2 residues, 1 model selected  

> select #1/A:79-84

51 atoms, 53 bonds, 6 residues, 1 model selected  

> show sel atoms

> ui tool show ""Color Actions""

> color sel byhetero

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> color sel red target l

> select #1/A:3

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/B:126

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #2/B:126

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #1/A:2

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #1/A:2

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> color sel red target l

> select #2/B:126

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #2/B:126

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> select clear

> label height 0.5

> label height 1

> label height 0.6

> save
> /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/Tango2_6dxx_bindingsites_compX.cxs

> ui tool show ""Side View""

> save
> /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/Tango2_6dxx_bindingsites_compX.cxs

——— End of log from Thu Jul 31 17:28:37 2025 ———

> view name session-start

opened ChimeraX session  

> ui tool show ""Side View""

> label height 0.6

[Repeated 1 time(s)]

> label height 0.7

[Repeated 1 time(s)]

> save
> /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/Tango2_6dxx_bindingsites_compX.cxs

> save
> /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/Figures/Tango2_6dxx_comp_closeup.tif
> width 2500 height 1149 supersample 3

> save
> /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/Tango2_6dxx_bindingsites_compX.cxs

——— End of log from Fri Aug 1 09:32:20 2025 ———

> view name session-start

opened ChimeraX session  

> label height 0.8

[Repeated 1 time(s)]

> save
> /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/Figures/Tango2_6dxx_comp_closeup.tif
> width 3000 height 1379 supersample 3

> save
> /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/Tango2_6dxx_bindingsites_compX.cxs

> close session

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/2x1d_forcomp.pdb
> format pdb

2x1d_forcomp.pdb title:  
The crystal structure of mature acyl coenzyme A:isopenicillin N
acyltransferase from penicillium chrysogenum [more info...]  
  
Chain information for 2x1d_forcomp.pdb #1  
---  
Chain | Description  
B | acyl-coenzyme  
  
Non-standard residues in 2x1d_forcomp.pdb #1  
---  
CSD — (CSD)  
  
53 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  

> ui tool show ""Find Cavities""

> kvfinder

11 cavities found for 2x1d_forcomp.pdb #1  
2x1d_forcomp.pdb Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.1.3 |  | 180.36 | 150.86 | 835 | 4.02 | 1.19  
1.1.8 |  | 50.76 | 64.27 | 235 | 4.37 | 2.06  
1.1.7 |  | 38.45 | 59.28 | 178 | 1.2 | 0.36  
1.1.6 |  | 32.18 | 49.97 | 149 | 3.06 | 1.04  
1.1.10 |  | 29.16 | 43.1 | 135 | 1.7 | 0.5  
1.1.1 |  | 28.94 | 52.49 | 134 | 0 | 0  
1.1.9 |  | 28.08 | 38.06 | 130 | 1.9 | 0.8  
1.1.2 |  | 25.7 | 37.43 | 119 | 2.16 | 0.62  
1.1.4 |  | 8.86 | 17.04 | 41 | 1.34 | 0.47  
1.1.11 |  | 8.42 | 16.5 | 39 | 0.6 | 0.15  
1.1.5 |  | 6.91 | 16.05 | 32 | 1.2 | 0.41  
  

Populating font family aliases took 198 ms. Replace uses of missing font
family ""Times"" with one that exists to avoid this cost.  

> kvfinder

11 cavities found for 2x1d_forcomp.pdb #1  
2x1d_forcomp.pdb Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.1.3 |  | 180.36 | 150.86 | 835 | 4.02 | 1.19  
1.1.8 |  | 50.76 | 64.27 | 235 | 4.37 | 2.06  
1.1.7 |  | 38.45 | 59.28 | 178 | 1.2 | 0.36  
1.1.6 |  | 32.18 | 49.97 | 149 | 3.06 | 1.04  
1.1.10 |  | 29.16 | 43.1 | 135 | 1.7 | 0.5  
1.1.1 |  | 28.94 | 52.49 | 134 | 0 | 0  
1.1.9 |  | 28.08 | 38.06 | 130 | 1.9 | 0.8  
1.1.2 |  | 25.7 | 37.43 | 119 | 2.16 | 0.62  
1.1.4 |  | 8.86 | 17.04 | 41 | 1.34 | 0.47  
1.1.11 |  | 8.42 | 16.5 | 39 | 0.6 | 0.15  
1.1.5 |  | 6.91 | 16.05 | 32 | 1.2 | 0.41  
  

> color byattribute a:kvfinder_depth #1.1.2-11

1893 atoms, 10 residues, atom kvfinder_depth range 0 to 4.37  

> view #1.1.3 @ zoom 0.75

moved plane near -42.45807919011678 [ 0.94629453 -0.02589495 -0.32226715]  
moved plane far -42.45807919011678 [ 0.94629453 -0.02589495 -0.32226715]  

> surface #1.1.1-11 transparency 50

> color #1.1.1-11 fromatoms transparency 50

> ~surface #1.1

> surface #1.1.3

> view #!1.1.8 @ zoom 0.75

moved plane near -27.56513770867785 [0.89256955 0.25878313 0.36925723]  
moved plane far -27.56513770867785 [0.89256955 0.25878313 0.36925723]  

> ~surface #1.1

> surface #!1.1.8

> view #!1.1.7 @ zoom 0.75

moved plane near -32.03756358433146 [0.89256955 0.25878313 0.36925723]  
moved plane far -32.03756358433146 [0.89256955 0.25878313 0.36925723]  

> ~surface #1.1

> surface #!1.1.7

> view #!1.1.6 @ zoom 0.75

moved plane near -23.916081462921742 [0.89256955 0.25878313 0.36925723]  
moved plane far -23.916081462921742 [0.89256955 0.25878313 0.36925723]  

> ~surface #1.1

> surface #!1.1.6

> view #!1.1.10 @ zoom 0.75

moved plane near -30.07313029072019 [0.89256955 0.25878313 0.36925723]  
moved plane far -30.07313029072019 [0.89256955 0.25878313 0.36925723]  

> ~surface #1.1

> surface #!1.1.10

> view #!1.1.1 @ zoom 0.75

moved plane near -16.12116160744664 [0.89256955 0.25878313 0.36925723]  
moved plane far -16.12116160744664 [0.89256955 0.25878313 0.36925723]  

> ~surface #1.1

> surface #!1.1.1

> view #!1.1.9 @ zoom 0.75

moved plane near -26.497108456846878 [0.89256955 0.25878313 0.36925723]  
moved plane far -26.497108456846878 [0.89256955 0.25878313 0.36925723]  

> ~surface #1.1

> surface #!1.1.9

> view #!1.1.2 @ zoom 0.75

moved plane near -22.815032955737227 [0.89256955 0.25878313 0.36925723]  
moved plane far -22.815032955737227 [0.89256955 0.25878313 0.36925723]  

> ~surface #1.1

> surface #!1.1.2

> view #!1.1.3 @ zoom 0.75

moved plane near -39.23877516315216 [0.89256955 0.25878313 0.36925723]  
moved plane far -39.23877516315216 [0.89256955 0.25878313 0.36925723]  

> ~surface #1.1

> surface #!1.1.3

> close session

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/8sv7A.pdb format pdb

8sv7A.pdb title:  
The 1.53 angstrom structure of human TANGO2 [more info...]  
  
Chain information for 8sv7A.pdb #1  
---  
Chain | Description | UniProt  
A | transport and golgi organization protein 2 homolog | TNG2_HUMAN 1-276  
  
Non-standard residues in 8sv7A.pdb #1  
---  
SO4 — sulfate ion  
  

> cartoon style width 1.2 thickness 0.2

> label delete pseudobonds

> hide atoms

> ui tool show ""Find Cavities""

> kvfinder

14 cavities found for 8sv7A.pdb #1  
8sv7A.pdb Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.2.10 |  | 956.45 | 698.59 | 4428 | 15.34 | 4.44  
1.2.13 |  | 103.03 | 120.16 | 477 | 4.57 | 1.68  
1.2.5 |  | 47.95 | 72.39 | 222 | 0 | 0  
1.2.11 |  | 35.64 | 53.06 | 165 | 0 | 0  
1.2.4 |  | 29.81 | 41.18 | 138 | 2.16 | 0.58  
1.2.1 |  | 27.43 | 55.27 | 127 | 0 | 0  
1.2.6 |  | 25.49 | 40.78 | 118 | 0 | 0  
1.2.9 |  | 15.34 | 31.68 | 71 | 0.85 | 0.19  
1.2.3 |  | 14.04 | 19.78 | 65 | 1.04 | 0.26  
1.2.12 |  | 14.04 | 21.78 | 65 | 1.34 | 0.37  
1.2.8 |  | 12.31 | 29.54 | 57 | 0 | 0  
1.2.14 |  | 12.31 | 29.54 | 57 | 0 | 0  
1.2.2 |  | 11.88 | 24.03 | 55 | 0.6 | 0.17  
1.2.7 |  | 11.02 | 19.4 | 51 | 1.2 | 0.32  
  

> view #1.2.10 @ zoom 0.75

moved plane near -37.24658241073715 [-0. -0. -1.]  
moved plane far -37.24658241073715 [-0. -0. -1.]  

> surface #1.2.1-14 transparency 50

> ~surface #1.2

> surface #1.2.10

> select #!1.2.10

4428 atoms, 1 residue, 1 model selected  

> ~select #!1.2.10

1 model selected  

> select #!1 & (#!1.2.10 @ ~select #!1 & (#!1.2.10 @ show
> #!1/A:2,4,24-29,32,51,56,59-62,72-83,85-90,117,157,216,220,224,234,238-240

> hide
> #!1/A:2,4,24-29,32,51,56,59-62,72-83,85-90,117,157,216,220,224,234,238-240

> color byattribute a:kvfinder_depth #!1.2.2-4,7,9-10,12-13

5350 atoms, 8 residues, 8 surfaces, atom kvfinder_depth range 0 to 15.3  

> ui tool show ""Render/Select by Attribute""

> view #!1.2.13 @ zoom 0.75

moved plane near -21.28794025080688 [-0.90926844 -0.24612183 0.3356411 ]  
moved plane far -21.28794025080688 [-0.90926844 -0.24612183 0.3356411 ]  

> ~surface #1.2

> surface #!1.2.13

> view #!1.2.10 @ zoom 0.75

moved plane near -40.60877178983332 [-0.71692665 0.28784738 -0.63494887]  
moved plane far -40.60877178983332 [-0.71692665 0.28784738 -0.63494887]  

> ~surface #1.2

> surface #!1.2.10

> ui tool show ""Surface Color""

No map chosen for coloring  

[Repeated 5 time(s)]

> color single #1.2.10.1

No map chosen for coloring  

[Repeated 5 time(s)]

> color #1.2.10 #c00d2b

No map chosen for coloring  

[Repeated 4 time(s)]

> color single #1.2.10.1

No map chosen for coloring  

[Repeated 3 time(s)]

> select #!1.2.10

4428 atoms, 1 residue, 1 model selected  

> ~select #!1.2.10

1 model selected  

> show
> #!1/A:2,4,24-29,32,51,56,59-62,72-83,85-90,117,157,216,220,224,234,238-240

> hide
> #!1/A:2,4,24-29,32,51,56,59-62,72-83,85-90,117,157,216,220,224,234,238-240

> show
> #!1/A:2,4,24-29,32,51,56,59-62,72-83,85-90,117,157,216,220,224,234,238-240

> hide
> #!1/A:2,4,24-29,32,51,56,59-62,72-83,85-90,117,157,216,220,224,234,238-240

> select #!1 & (#!1.2.10 @ ~select #!1 & (#!1.2.10 @ select #!1.2.10

4428 atoms, 1 residue, 1 model selected  

> ~select #!1.2.10

1 model selected  

> view #!1.2.13 @ zoom 0.75

moved plane near -17.278803539624093 [-0.16973462 0.29972305 -0.93880576]  
moved plane far -17.278803539624093 [-0.16973462 0.29972305 -0.93880576]  

> ~surface #1.2

> surface #!1.2.13

> view #!1.2.5 @ zoom 0.75

moved plane near -12.381815063062106 [-0.16973462 0.29972305 -0.93880576]  
moved plane far -12.381815063062106 [-0.16973462 0.29972305 -0.93880576]  

> ~surface #1.2

> surface #!1.2.5

> view #!1.2.10 @ zoom 0.75

moved plane near -25.645900495557516 [-0.16973462 0.29972305 -0.93880576]  
moved plane far -25.645900495557516 [-0.16973462 0.29972305 -0.93880576]  

> ~surface #1.2

> surface #!1.2.10

> ui tool show ""Surface Color""

> color radial #1.2.2.1 palette #ff0000:#ffffff:#0000ff

> color radial #1.2.10.1 palette 32.53,#ff0000:34.32,#ffffff:36.12,#0000ff

No map chosen for coloring  

[Repeated 1 time(s)]

> select #!1 & (#!1.2.10 @ ~select #!1 & (#!1.2.10 @ show
> #!1/A:2,4,24-29,32,51,56,59-62,72-83,85-90,117,157,216,220,224,234,238-240

> hide
> #!1/A:2,4,24-29,32,51,56,59-62,72-83,85-90,117,157,216,220,224,234,238-240

> select #!1 & (#!1.2.10 @ show sel atoms

> surface sel

> ui tool show ""Surface Color""

No map chosen for coloring  

[Repeated 2 time(s)]

> ui tool show ""Surface Color""

> color radial #1.3 palette 32.53,#ff0000:34.32,#ffffff:36.12,#0000ff

> ui tool show ""Find Cavities""

> close session

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/2x1d_forcomp.pdb
> format pdb

2x1d_forcomp.pdb title:  
The crystal structure of mature acyl coenzyme A:isopenicillin N
acyltransferase from penicillium chrysogenum [more info...]  
  
Chain information for 2x1d_forcomp.pdb #1  
---  
Chain | Description  
B | acyl-coenzyme  
  
Non-standard residues in 2x1d_forcomp.pdb #1  
---  
CSD — (CSD)  
  
53 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  

> ui tool show ""Find Cavities""

> kvfinder

11 cavities found for 2x1d_forcomp.pdb #1  
2x1d_forcomp.pdb Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.1.3 |  | 180.36 | 150.86 | 835 | 4.02 | 1.19  
1.1.8 |  | 50.76 | 64.27 | 235 | 4.37 | 2.06  
1.1.7 |  | 38.45 | 59.28 | 178 | 1.2 | 0.36  
1.1.6 |  | 32.18 | 49.97 | 149 | 3.06 | 1.04  
1.1.10 |  | 29.16 | 43.1 | 135 | 1.7 | 0.5  
1.1.1 |  | 28.94 | 52.49 | 134 | 0 | 0  
1.1.9 |  | 28.08 | 38.06 | 130 | 1.9 | 0.8  
1.1.2 |  | 25.7 | 37.43 | 119 | 2.16 | 0.62  
1.1.4 |  | 8.86 | 17.04 | 41 | 1.34 | 0.47  
1.1.11 |  | 8.42 | 16.5 | 39 | 0.6 | 0.15  
1.1.5 |  | 6.91 | 16.05 | 32 | 1.2 | 0.41  
  

> view #1.1.3 @ zoom 0.75

moved plane near -20.27633690049001 [ 0.00258366 0.97721708 -0.21222655]  
moved plane far -20.27633690049001 [ 0.00258366 0.97721708 -0.21222655]  

> surface #1.1.1-11 transparency 50

> ~surface #1.1

> surface #1.1.3

> select #!1 & (#1.1.3 @ close session

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/2hf0_forcomp.pdb
> format pdb

2hf0_forcomp.pdb title:  
Bifidobacterium longum bile salt hydrolase [more info...]  
  
Chain information for 2hf0_forcomp.pdb #1  
---  
Chain | Description | UniProt  
B | bile salt hydrolase | Q9KK62_BIFLO 1-316  
  

> ui tool show ""Find Cavities""

> kvfinder

14 cavities found for 2hf0_forcomp.pdb #1  
2hf0_forcomp.pdb Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.1.11 |  | 899.21 | 605.61 | 4163 | 9.62 | 2.96  
1.1.10 |  | 60.7 | 72.68 | 281 | 4.2 | 1.33  
1.1.14 |  | 56.81 | 79.96 | 263 | 1.8 | 0.45  
1.1.9 |  | 55.3 | 76.96 | 256 | 2.47 | 0.6  
1.1.8 |  | 29.59 | 51.3 | 137 | 0 | 0  
1.1.7 |  | 23.11 | 42.35 | 107 | 0 | 0  
1.1.2 |  | 18.36 | 33.35 | 85 | 2.16 | 0.79  
1.1.5 |  | 17.93 | 28.1 | 83 | 1.8 | 0.71  
1.1.13 |  | 17.28 | 36.68 | 80 | 0 | 0  
1.1.3 |  | 16.42 | 28.26 | 76 | 1.2 | 0.28  
1.1.4 |  | 12.96 | 17.76 | 60 | 1.34 | 0.42  
1.1.12 |  | 12.31 | 29.54 | 57 | 0 | 0  
1.1.6 |  | 9.94 | 17.92 | 46 | 0.85 | 0.24  
1.1.1 |  | 9.72 | 19.27 | 45 | 0.6 | 0.11  
  

> view #1.1.11 @ zoom 0.75

moved plane near -33.222142626207955 [-0.91731221 0.33896845 0.20889877]  
moved plane far -33.222142626207955 [-0.91731221 0.33896845 0.20889877]  

> surface #1.1.1-14 transparency 50

> ~surface #1.1

> surface #1.1.11

> select #!1 & (#1.1.11 @ close session

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/5u7z_forcomp.pdb
> format pdb

Summary of feedback from opening
/Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/5u7z_forcomp.pdb  
---  
warnings | Cannot find LINK/SSBOND residue CYS (31 )  
Cannot find LINK/SSBOND residue CYS (31 )  
Cannot find LINK/SSBOND residue CYS (388 )  
Cannot find LINK/SSBOND residue NAG (1 )  
Cannot find LINK/SSBOND residue NAG (404 )  
9 messages similar to the above omitted  
  
5u7z_forcomp.pdb title:  
Human acid ceramidase (ASAH1, acdase) self-activated [more info...]  
  
Chain information for 5u7z_forcomp.pdb #1  
---  
Chain | Description | UniProt  
B | acid ceramidase | A8K0B6_HUMAN 141-395  
  

> ui tool show ""Find Cavities""

> kvfinder

13 cavities found for 5u7z_forcomp.pdb #1  
5u7z_forcomp.pdb Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.1.5 |  | 362.88 | 334.81 | 1680 | 6.18 | 1.73  
1.1.13 |  | 106.92 | 109.88 | 495 | 3.7 | 1.66  
1.1.3 |  | 80.35 | 122.76 | 372 | 7.22 | 3.63  
1.1.10 |  | 74.52 | 99.77 | 345 | 5.16 | 2.56  
1.1.1 |  | 55.51 | 68.62 | 257 | 3.55 | 1.5  
1.1.11 |  | 42.98 | 52.99 | 199 | 1.8 | 0.74  
1.1.9 |  | 36.07 | 59.9 | 167 | 0 | 0  
1.1.6 |  | 28.08 | 54.76 | 130 | 4.84 | 3  
1.1.8 |  | 23.11 | 35.28 | 107 | 1.8 | 0.54  
1.1.2 |  | 18.58 | 27.35 | 86 | 2.4 | 0.85  
1.1.7 |  | 8.42 | 15.83 | 39 | 1.2 | 0.33  
1.1.4 |  | 7.34 | 13.6 | 34 | 0.6 | 0.19  
1.1.12 |  | 7.13 | 14.97 | 33 | 0.6 | 0.2  
  

> view #1.1.5 @ zoom 0.75

moved plane near -26.197777215314204 [-0. -0. -1.]  
moved plane far -26.197777215314204 [-0. -0. -1.]  

> surface #1.1.1-13 transparency 50

> ~surface #1.1

> surface #1.1.5

> select #!1 & (#1.1.5 @ close session

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/6dxx_forcomp.pdb
> format pdb

Summary of feedback from opening
/Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/6dxx_forcomp.pdb  
---  
warnings | Cannot find LINK/SSBOND residue CYS (103 )  
Cannot find LINK/SSBOND residue CYS (103 )  
Cannot find LINK/SSBOND residue CYS (103 )  
Cannot find LINK/SSBOND residue ASN (37 )  
Cannot find LINK/SSBOND residue ASN (107 )  
4 messages similar to the above omitted  
  
6dxx_forcomp.pdb title:  
Human N-acylethanolamine-hydrolyzing acid amidase (naaa) In complex with non-
covalent benzothiazole-piperazine inhibitor ARN19702, In presence of triton
X-100 [more info...]  
  
Chain information for 6dxx_forcomp.pdb #1  
---  
Chain | Description | UniProt  
B | N-acylethanolamine-hydrolyzing acid amidase subunit β | NAAA_HUMAN 126-359  
  
Non-standard residues in 6dxx_forcomp.pdb #1  
---  
CL — chloride ion  
NAG — 2-acetamido-2-deoxy-β-D-glucopyranose (N-acetyl-β-D-glucosamine;
2-acetamido-2-deoxy-β-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-acetyl-D-glucosamine)  
WTF —
[2-(ethylsulfonyl)phenyl][(2S)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]methanone  
  

> hide atoms

> ui tool show ""Find Cavities""

> kvfinder

7 cavities found for 6dxx_forcomp.pdb #1  
6dxx_forcomp.pdb Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.1.7 |  | 102.82 | 129.21 | 476 | 3.89 | 1.31  
1.1.4 |  | 47.95 | 63.42 | 222 | 3 | 0.81  
1.1.3 |  | 27 | 45.07 | 125 | 3.6 | 1.68  
1.1.1 |  | 12.31 | 29.54 | 57 | 0 | 0  
1.1.2 |  | 12.31 | 29.54 | 57 | 0 | 0  
1.1.5 |  | 12.31 | 29.54 | 57 | 0 | 0  
1.1.6 |  | 9.72 | 16.91 | 45 | 0.85 | 0.17  
  

> view #1.1.7 @ zoom 0.75

moved plane near -26.36102890222392 [-0.84853172 0.50795012 -0.14825856]  
moved plane far -26.36102890222392 [-0.84853172 0.50795012 -0.14825856]  

> surface #1.1.1-7 transparency 50

> ~surface #1.1

> surface #1.1.7

> select #!1 & (#1.1.7 @ close session

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/8sv7A.pdb format pdb

8sv7A.pdb title:  
The 1.53 angstrom structure of human TANGO2 [more info...]  
  
Chain information for 8sv7A.pdb #1  
---  
Chain | Description | UniProt  
A | transport and golgi organization protein 2 homolog | TNG2_HUMAN 1-276  
  
Non-standard residues in 8sv7A.pdb #1  
---  
SO4 — sulfate ion  
  

> hide atoms

> label delete pseudobonds

> ui tool show ""Find Cavities""

> kvfinder

14 cavities found for 8sv7A.pdb #1  
8sv7A.pdb Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.2.10 |  | 956.45 | 698.59 | 4428 | 15.34 | 4.44  
1.2.13 |  | 103.03 | 120.16 | 477 | 4.57 | 1.68  
1.2.5 |  | 47.95 | 72.39 | 222 | 0 | 0  
1.2.11 |  | 35.64 | 53.06 | 165 | 0 | 0  
1.2.4 |  | 29.81 | 41.18 | 138 | 2.16 | 0.58  
1.2.1 |  | 27.43 | 55.27 | 127 | 0 | 0  
1.2.6 |  | 25.49 | 40.78 | 118 | 0 | 0  
1.2.9 |  | 15.34 | 31.68 | 71 | 0.85 | 0.19  
1.2.3 |  | 14.04 | 19.78 | 65 | 1.04 | 0.26  
1.2.12 |  | 14.04 | 21.78 | 65 | 1.34 | 0.37  
1.2.8 |  | 12.31 | 29.54 | 57 | 0 | 0  
1.2.14 |  | 12.31 | 29.54 | 57 | 0 | 0  
1.2.2 |  | 11.88 | 24.03 | 55 | 0.6 | 0.17  
1.2.7 |  | 11.02 | 19.4 | 51 | 1.2 | 0.32  
  

> view #1.2.10 @ zoom 0.75

moved plane near -24.658459398507137 [-0. -0. -1.]  
moved plane far -24.658459398507137 [-0. -0. -1.]  

> surface #1.2.1-14 transparency 50

> ~surface #1.2

> surface #1.2.10

> select #!1 & (#1.2.10 @ ~select #!1 & (#!1.2.10 @ view #!1.2.13 @ zoom 0.75

moved plane near -24.413652383828367 [ 0.01105958 -0.83352862 0.55236557]  
moved plane far -24.413652383828367 [ 0.01105958 -0.83352862 0.55236557]  

> ~surface #1.2

> surface #!1.2.13

> view #!1.2.5 @ zoom 0.75

moved plane near -14.383927998550115 [ 0.59263135 0.39467137 -0.70215568]  
moved plane far -14.383927998550115 [ 0.59263135 0.39467137 -0.70215568]  

> ~surface #1.2

> surface #!1.2.5

> view #!1.2.13 @ zoom 0.75

moved plane near -24.130028032896337 [ 0.59263135 0.39467137 -0.70215568]  
moved plane far -24.130028032896337 [ 0.59263135 0.39467137 -0.70215568]  

> ~surface #1.2

> surface #!1.2.13

> view #!1.2.10 @ zoom 0.75

moved plane near -36.774467449414566 [ 0.59263135 0.39467137 -0.70215568]  
moved plane far -36.774467449414566 [ 0.59263135 0.39467137 -0.70215568]  

> ~surface #1.2

> surface #!1.2.10

> view #!1.2.13 @ zoom 0.75

moved plane near -24.166454481449467 [-0.38236314 -0.91645035 -0.1179711 ]  
moved plane far -24.166454481449467 [-0.38236314 -0.91645035 -0.1179711 ]  

> ~surface #1.2

> surface #!1.2.13

> view #!1.2.10 @ zoom 0.75

moved plane near -36.660551896014844 [-0.46607824 -0.59193229 -0.65756159]  
moved plane far -36.660551896014844 [-0.46607824 -0.59193229 -0.65756159]  

> ~surface #1.2

> surface #!1.2.10

> view #!1.2.13 @ zoom 0.75

moved plane near -24.536082151462534 [-0.46607824 -0.59193229 -0.65756159]  
moved plane far -24.536082151462534 [-0.46607824 -0.59193229 -0.65756159]  

> ~surface #1.2

> surface #!1.2.13

> view #!1.2.5 @ zoom 0.75

moved plane near -13.542036714474131 [-0.46607824 -0.59193229 -0.65756159]  
moved plane far -13.542036714474131 [-0.46607824 -0.59193229 -0.65756159]  

> ~surface #1.2

> surface #!1.2.5

> view #!1.2.13 @ zoom 0.75

moved plane near -24.536082151462534 [-0.46607824 -0.59193229 -0.65756159]  
moved plane far -24.536082151462534 [-0.46607824 -0.59193229 -0.65756159]  

> ~surface #1.2

> surface #!1.2.13

> view #!1.2.10 @ zoom 0.75

moved plane near -36.660551896014844 [-0.46607824 -0.59193229 -0.65756159]  
moved plane far -36.660551896014844 [-0.46607824 -0.59193229 -0.65756159]  

> ~surface #1.2

> surface #!1.2.10

> ui tool show ""Find Cavities""

> ui windowfill toggle

[Repeated 3 time(s)]

> select #!1.2.10

4428 atoms, 1 residue, 1 model selected  

> ~select #!1.2.10

1 model selected  

> select #!1 & (#!1.2.10 @ ~select #!1 & (#!1.2.10 @ view #!1.2.13 @ zoom 0.75

moved plane near -23.108837427320186 [ 0.27561638 -0.95107255 0.13963023]  
moved plane far -23.108837427320186 [ 0.27561638 -0.95107255 0.13963023]  

> ~surface #1.2

> surface #!1.2.13

> view #!1.2.5 @ zoom 0.75

moved plane near -13.262029120079008 [ 0.27561638 -0.95107255 0.13963023]  
moved plane far -13.262029120079008 [ 0.27561638 -0.95107255 0.13963023]  

> ~surface #1.2

> surface #!1.2.5

> view #!1.2.10 @ zoom 0.75

moved plane near -37.50479614394951 [ 0.27561638 -0.95107255 0.13963023]  
moved plane far -37.50479614394951 [ 0.27561638 -0.95107255 0.13963023]  

> ~surface #1.2

> surface #!1.2.10

> view #!1.2.14 @ zoom 0.75

moved plane near -15.19837108023883 [ 0.27561638 -0.95107255 0.13963023]  
moved plane far -15.19837108023883 [ 0.27561638 -0.95107255 0.13963023]  

> ~surface #1.2

> surface #!1.2.14

> showTool true

Unknown command: showTool true  

> close session

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/8sv7A.pdb format pdb

8sv7A.pdb title:  
The 1.53 angstrom structure of human TANGO2 [more info...]  
  
Chain information for 8sv7A.pdb #1  
---  
Chain | Description | UniProt  
A | transport and golgi organization protein 2 homolog | TNG2_HUMAN 1-276  
  
Non-standard residues in 8sv7A.pdb #1  
---  
SO4 — sulfate ion  
  

> ui tool show ""Find Cavities""

> kvfinder

14 cavities found for 8sv7A.pdb #1  
8sv7A.pdb Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.2.10 |  | 956.45 | 698.59 | 4428 | 15.34 | 4.44  
1.2.13 |  | 103.03 | 120.16 | 477 | 4.57 | 1.68  
1.2.5 |  | 47.95 | 72.39 | 222 | 0 | 0  
1.2.11 |  | 35.64 | 53.06 | 165 | 0 | 0  
1.2.4 |  | 29.81 | 41.18 | 138 | 2.16 | 0.58  
1.2.1 |  | 27.43 | 55.27 | 127 | 0 | 0  
1.2.6 |  | 25.49 | 40.78 | 118 | 0 | 0  
1.2.9 |  | 15.34 | 31.68 | 71 | 0.85 | 0.19  
1.2.3 |  | 14.04 | 19.78 | 65 | 1.04 | 0.26  
1.2.12 |  | 14.04 | 21.78 | 65 | 1.34 | 0.37  
1.2.8 |  | 12.31 | 29.54 | 57 | 0 | 0  
1.2.14 |  | 12.31 | 29.54 | 57 | 0 | 0  
1.2.2 |  | 11.88 | 24.03 | 55 | 0.6 | 0.17  
1.2.7 |  | 11.02 | 19.4 | 51 | 1.2 | 0.32  
  

> view #1.2.10 @ zoom 0.75

moved plane near -37.90505864429557 [-0. -0. -1.]  
moved plane far -37.90505864429557 [-0. -0. -1.]  

> surface #1.2.1-14 transparency 50

> ~surface #1.2

> surface #1.2.10

> showTool true

Unknown command: showTool true  

> mlp (#1 & protein) surfaces #1.2.10true

Invalid ""surfaces"" argument: only initial part ""#1.2.10"" of atom specifier
valid  

> mlp (#1 & protein) surfaces #1.2.10

Map values for surface ""cavity 10_cavity SES surface"": minimum -25.79, mean
-3.551, maximum 18.13  

> hide atoms

> save
> /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/Tango2_cavity_KVFinder.cxs

> close session

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/2x1d_forcomp.pdb
> format pdb

2x1d_forcomp.pdb title:  
The crystal structure of mature acyl coenzyme A:isopenicillin N
acyltransferase from penicillium chrysogenum [more info...]  
  
Chain information for 2x1d_forcomp.pdb #1  
---  
Chain | Description  
B | acyl-coenzyme  
  
Non-standard residues in 2x1d_forcomp.pdb #1  
---  
CSD — (CSD)  
  
53 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  

> ui tool show ""Find Cavities""

> kvfinder

11 cavities found for 2x1d_forcomp.pdb #1  
2x1d_forcomp.pdb Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.1.3 |  | 180.36 | 150.86 | 835 | 4.02 | 1.19  
1.1.8 |  | 50.76 | 64.27 | 235 | 4.37 | 2.06  
1.1.7 |  | 38.45 | 59.28 | 178 | 1.2 | 0.36  
1.1.6 |  | 32.18 | 49.97 | 149 | 3.06 | 1.04  
1.1.10 |  | 29.16 | 43.1 | 135 | 1.7 | 0.5  
1.1.1 |  | 28.94 | 52.49 | 134 | 0 | 0  
1.1.9 |  | 28.08 | 38.06 | 130 | 1.9 | 0.8  
1.1.2 |  | 25.7 | 37.43 | 119 | 2.16 | 0.62  
1.1.4 |  | 8.86 | 17.04 | 41 | 1.34 | 0.47  
1.1.11 |  | 8.42 | 16.5 | 39 | 0.6 | 0.15  
1.1.5 |  | 6.91 | 16.05 | 32 | 1.2 | 0.41  
  

> view #1.1.3 @ zoom 0.75

moved plane near -22.60917140871646 [-0. -0. -1.]  
moved plane far -22.60917140871646 [-0. -0. -1.]  

> surface #1.1.1-11 transparency 50

> ~surface #1.1

> surface #1.1.3

> mlp (#1 & protein) surfaces #1.1.3

Map values for surface ""cavity 3_cavity SES surface"": minimum nan, mean nan,
maximum nan  
/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/surface/colorvol.py:247: RuntimeWarning: invalid value
encountered in cast  
rgba8 = (255*rgba).astype(uint8)  

> view #!1.1.8 @ zoom 0.75

moved plane near -15.838972615031372 [ 0.99720757 -0.02167071 -0.07146642]  
moved plane far -15.838972615031372 [ 0.99720757 -0.02167071 -0.07146642]  

> ~surface #1.1

> surface #!1.1.8

> view #!1.1.3 @ zoom 0.75

moved plane near -22.933255211535922 [ 0.99720757 -0.02167071 -0.07146642]  
moved plane far -22.933255211535922 [ 0.99720757 -0.02167071 -0.07146642]  

> ~surface #1.1

> surface #!1.1.3

> view #!1.1.8 @ zoom 0.75

moved plane near -19.020339581229845 [0.65607322 0.18354291 0.7320382 ]  
moved plane far -19.020339581229845 [0.65607322 0.18354291 0.7320382 ]  

> ~surface #1.1

> surface #!1.1.8

> view #!1.1.7 @ zoom 0.75

moved plane near -24.78366217962295 [0.65607322 0.18354291 0.7320382 ]  
moved plane far -24.78366217962295 [0.65607322 0.18354291 0.7320382 ]  

> ~surface #1.1

> surface #!1.1.7

> view #!1.1.6 @ zoom 0.75

moved plane near -18.292201576856502 [0.65607322 0.18354291 0.7320382 ]  
moved plane far -18.292201576856502 [0.65607322 0.18354291 0.7320382 ]  

> ~surface #1.1

> surface #!1.1.6

> view #!1.1.10 @ zoom 0.75

moved plane near -22.17286704761159 [0.65607322 0.18354291 0.7320382 ]  
moved plane far -22.17286704761159 [0.65607322 0.18354291 0.7320382 ]  

> ~surface #1.1

> surface #!1.1.10

> view #!1.1.1 @ zoom 0.75

moved plane near -12.285774068538963 [0.65607322 0.18354291 0.7320382 ]  
moved plane far -12.285774068538963 [0.65607322 0.18354291 0.7320382 ]  

> ~surface #1.1

> surface #!1.1.1

> view #!1.1.9 @ zoom 0.75

moved plane near -18.42599101098824 [0.65607322 0.18354291 0.7320382 ]  
moved plane far -18.42599101098824 [0.65607322 0.18354291 0.7320382 ]  

> ~surface #1.1

> surface #!1.1.9

> view #!1.1.2 @ zoom 0.75

moved plane near -16.63684445958934 [0.65607322 0.18354291 0.7320382 ]  
moved plane far -16.63684445958934 [0.65607322 0.18354291 0.7320382 ]  

> ~surface #1.1

> surface #!1.1.2

> view #!1.1.4 @ zoom 0.75

moved plane near -16.414902047717934 [0.65607322 0.18354291 0.7320382 ]  
moved plane far -16.414902047717934 [0.65607322 0.18354291 0.7320382 ]  

> ~surface #1.1

> surface #!1.1.4

> view #!1.1.11 @ zoom 0.75

moved plane near -18.38642362025197 [0.65607322 0.18354291 0.7320382 ]  
moved plane far -18.38642362025197 [0.65607322 0.18354291 0.7320382 ]  

> ~surface #1.1

> surface #!1.1.11

> view #!1.1.5 @ zoom 0.75

moved plane near -16.304766172987993 [0.65607322 0.18354291 0.7320382 ]  
moved plane far -16.304766172987993 [0.65607322 0.18354291 0.7320382 ]  

> ~surface #1.1

> surface #!1.1.5

> view #!1.1.3 @ zoom 0.75

moved plane near -27.598300781751323 [0.65607322 0.18354291 0.7320382 ]  
moved plane far -27.598300781751323 [0.65607322 0.18354291 0.7320382 ]  

> ~surface #1.1

> surface #!1.1.3

> transparency #1.1.3 30

> transparency #1.1.3 50

> transparency #1.1.3 0

> transparency #1.1.3

Missing or invalid ""percent"" argument: Expected a number  

> transparency #1.1.3 10

> transparency #1.1.3 50

> close session

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/6dxx_forcomp.pdb
> format pdb

Summary of feedback from opening
/Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/6dxx_forcomp.pdb  
---  
warnings | Cannot find LINK/SSBOND residue CYS (103 )  
Cannot find LINK/SSBOND residue CYS (103 )  
Cannot find LINK/SSBOND residue CYS (103 )  
Cannot find LINK/SSBOND residue ASN (37 )  
Cannot find LINK/SSBOND residue ASN (107 )  
4 messages similar to the above omitted  
  
6dxx_forcomp.pdb title:  
Human N-acylethanolamine-hydrolyzing acid amidase (naaa) In complex with non-
covalent benzothiazole-piperazine inhibitor ARN19702, In presence of triton
X-100 [more info...]  
  
Chain information for 6dxx_forcomp.pdb #1  
---  
Chain | Description | UniProt  
B | N-acylethanolamine-hydrolyzing acid amidase subunit β | NAAA_HUMAN 126-359  
  
Non-standard residues in 6dxx_forcomp.pdb #1  
---  
CL — chloride ion  
NAG — 2-acetamido-2-deoxy-β-D-glucopyranose (N-acetyl-β-D-glucosamine;
2-acetamido-2-deoxy-β-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-acetyl-D-glucosamine)  
WTF —
[2-(ethylsulfonyl)phenyl][(2S)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]methanone  
  

> hide atoms

> ui tool show ""Find Cavities""

> kvfinder

7 cavities found for 6dxx_forcomp.pdb #1  
6dxx_forcomp.pdb Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.1.7 |  | 102.82 | 129.21 | 476 | 3.89 | 1.31  
1.1.4 |  | 47.95 | 63.42 | 222 | 3 | 0.81  
1.1.3 |  | 27 | 45.07 | 125 | 3.6 | 1.68  
1.1.1 |  | 12.31 | 29.54 | 57 | 0 | 0  
1.1.2 |  | 12.31 | 29.54 | 57 | 0 | 0  
1.1.5 |  | 12.31 | 29.54 | 57 | 0 | 0  
1.1.6 |  | 9.72 | 16.91 | 45 | 0.85 | 0.17  
  

> view #1.1.7 @ zoom 0.75

moved plane near -23.138188727315367 [-0. -0. -1.]  
moved plane far -23.138188727315367 [-0. -0. -1.]  

> surface #1.1.1-7 transparency 50

> ~surface #1.1

> surface #1.1.7

> mlp (#1 & protein) surfaces #1.1.7

Map values for surface ""cavity 7_cavity SES surface"": minimum -16.88, mean
5.33, maximum 20.92  

> close session

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/5u7z_forcomp.pdb
> format pdb

Summary of feedback from opening
/Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/5u7z_forcomp.pdb  
---  
warnings | Cannot find LINK/SSBOND residue CYS (31 )  
Cannot find LINK/SSBOND residue CYS (31 )  
Cannot find LINK/SSBOND residue CYS (388 )  
Cannot find LINK/SSBOND residue NAG (1 )  
Cannot find LINK/SSBOND residue NAG (404 )  
9 messages similar to the above omitted  
  
5u7z_forcomp.pdb title:  
Human acid ceramidase (ASAH1, acdase) self-activated [more info...]  
  
Chain information for 5u7z_forcomp.pdb #1  
---  
Chain | Description | UniProt  
B | acid ceramidase | A8K0B6_HUMAN 141-395  
  

> ui tool show ""Find Cavities""

> kvfinder

13 cavities found for 5u7z_forcomp.pdb #1  
5u7z_forcomp.pdb Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.1.5 |  | 362.88 | 334.81 | 1680 | 6.18 | 1.73  
1.1.13 |  | 106.92 | 109.88 | 495 | 3.7 | 1.66  
1.1.3 |  | 80.35 | 122.76 | 372 | 7.22 | 3.63  
1.1.10 |  | 74.52 | 99.77 | 345 | 5.16 | 2.56  
1.1.1 |  | 55.51 | 68.62 | 257 | 3.55 | 1.5  
1.1.11 |  | 42.98 | 52.99 | 199 | 1.8 | 0.74  
1.1.9 |  | 36.07 | 59.9 | 167 | 0 | 0  
1.1.6 |  | 28.08 | 54.76 | 130 | 4.84 | 3  
1.1.8 |  | 23.11 | 35.28 | 107 | 1.8 | 0.54  
1.1.2 |  | 18.58 | 27.35 | 86 | 2.4 | 0.85  
1.1.7 |  | 8.42 | 15.83 | 39 | 1.2 | 0.33  
1.1.4 |  | 7.34 | 13.6 | 34 | 0.6 | 0.19  
1.1.12 |  | 7.13 | 14.97 | 33 | 0.6 | 0.2  
  

> view #1.1.5 @ zoom 0.75

moved plane near -39.65249553726486 [-0.29191227 0.85451381 -0.42964331]  
moved plane far -39.65249553726486 [-0.29191227 0.85451381 -0.42964331]  

> surface #1.1.1-13 transparency 50

> ~surface #1.1

> surface #1.1.5

> mlp (#1 & protein) surfaces #1.1.5

Map values for surface ""cavity 5_cavity SES surface"": minimum -25.61, mean
-1.562, maximum 20.47  

> close session

> open /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/2hf0_forcomp.pdb
> format pdb

2hf0_forcomp.pdb title:  
Bifidobacterium longum bile salt hydrolase [more info...]  
  
Chain information for 2hf0_forcomp.pdb #1  
---  
Chain | Description | UniProt  
B | bile salt hydrolase | Q9KK62_BIFLO 1-316  
  

> ui tool show ""Find Cavities""

> kvfinder

14 cavities found for 2hf0_forcomp.pdb #1  
2hf0_forcomp.pdb Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.1.11 |  | 899.21 | 605.61 | 4163 | 9.62 | 2.96  
1.1.10 |  | 60.7 | 72.68 | 281 | 4.2 | 1.33  
1.1.14 |  | 56.81 | 79.96 | 263 | 1.8 | 0.45  
1.1.9 |  | 55.3 | 76.96 | 256 | 2.47 | 0.6  
1.1.8 |  | 29.59 | 51.3 | 137 | 0 | 0  
1.1.7 |  | 23.11 | 42.35 | 107 | 0 | 0  
1.1.2 |  | 18.36 | 33.35 | 85 | 2.16 | 0.79  
1.1.5 |  | 17.93 | 28.1 | 83 | 1.8 | 0.71  
1.1.13 |  | 17.28 | 36.68 | 80 | 0 | 0  
1.1.3 |  | 16.42 | 28.26 | 76 | 1.2 | 0.28  
1.1.4 |  | 12.96 | 17.76 | 60 | 1.34 | 0.42  
1.1.12 |  | 12.31 | 29.54 | 57 | 0 | 0  
1.1.6 |  | 9.94 | 17.92 | 46 | 0.85 | 0.24  
1.1.1 |  | 9.72 | 19.27 | 45 | 0.6 | 0.11  
  

> view #1.1.11 @ zoom 0.75

moved plane near -33.10490310151244 [-0.35798124 0.92803331 0.10297386]  
moved plane far -33.10490310151244 [-0.35798124 0.92803331 0.10297386]  

> surface #1.1.1-14 transparency 50

> ~surface #1.1

> surface #1.1.11

> mlp (#1 & protein) surfaces #1.1.11

Map values for surface ""cavity 11_cavity SES surface"": minimum -24.12, mean
0.362, maximum 23.17  

> select protein

2463 atoms, 2528 bonds, 316 residues, 1 model selected  

> ui tool show ""Basic Actions""

> ui tool show ""Color Actions""

> color sel bychain

> color coil gray

> color helix orange red

> color strand purple

> ui tool show ""Color Actions""

> color helix yellow

> color helix gold

> color helix light yellow

> color helix gold

> color strand turquoise

> select clear

> color strand medium turquoise

> color helix sandy brown

> color #1.1.11 #0b7905

> color #1.1.11 #6d5079

> color #1.1.11 #6e5079

> color #1.1.11 #333b79

> color #1.1.11 #792e2c

> color #1.1.11 #796c33

> color #1.1.11 #6f1279

> color #1.1.11 #256379

> color #1.1.11 #796318

> color #1.1.11 #1c0679

> color #1.1.11 #1b0679

> color #1.1.11 #130a79

> transparency #1.1.11 50

> transparency #1.1.11 30

> ui tool show ""Find Cavities""

> kvfinder volumeCutoff 50

4 cavities found for 2hf0_forcomp.pdb #1  
2hf0_forcomp.pdb Cavities  
---  
ID |  | Volume | Area | Points | Maximum  
Depth | Average  
Depth  
1.1.3 |  | 899.21 | 605.61 | 4163 | 9.62 | 2.96  
1.1.2 |  | 60.7 | 72.68 | 281 | 4.2 | 1.33  
1.1.4 |  | 56.81 | 79.96 | 263 | 1.8 | 0.45  
1.1.1 |  | 55.3 | 76.96 | 256 | 2.47 | 0.6  
  

> view #1.1.3 @ zoom 0.75

moved plane near -36.662915572748936 [-0.5331149 0.76136199 0.36893959]  
moved plane far -36.662915572748936 [-0.5331149 0.76136199 0.36893959]  

> surface #1.1.1-4 transparency 50

> ~surface #1.1

> surface #1.1.3

> view #!1.1.2 @ zoom 0.75

moved plane near -23.00105657031177 [-0.5331149 0.76136199 0.36893959]  
moved plane far -23.00105657031177 [-0.5331149 0.76136199 0.36893959]  

> ~surface #1.1

> surface #!1.1.2

> view #!1.1.4 @ zoom 0.75

moved plane near -24.751349236332846 [-0.5331149 0.76136199 0.36893959]  
moved plane far -24.751349236332846 [-0.5331149 0.76136199 0.36893959]  

> ~surface #1.1

> surface #!1.1.4

> view #!1.1.1 @ zoom 0.75

moved plane near -23.36801995932231 [-0.5331149 0.76136199 0.36893959]  
moved plane far -23.36801995932231 [-0.5331149 0.76136199 0.36893959]  

> ~surface #1.1

> surface #!1.1.1

> view #!1.1.3 @ zoom 0.75

moved plane near -36.662915572748936 [-0.5331149 0.76136199 0.36893959]  
moved plane far -36.662915572748936 [-0.5331149 0.76136199 0.36893959]  

> ~surface #1.1

> surface #!1.1.3

> color #1.1.3 #998798

> color #1.1.3 #927a99

> color #1.1.3 #976b99

> ui tool show ""Color Actions""

> color deep pink

> color slate blue

> color medium slate blue

> color helix sandy brown

> color strand medium turquoise

> color coil gray

> view

[Repeated 2 time(s)]

> select #!1/B:1

6 atoms, 5 bonds, 1 residue, 1 model selected  

> color sel red

> style sel stick

Changed 6 atom styles  

> show sel atoms

> label sel text ""{0.name} {0.number}{0.insertion_code}""

> label height 1

> label height 1.5

[Repeated 1 time(s)]

> select clear

> view #!1.1.1 @ zoom 0.75

moved plane near -24.499848458712496 [ 0.60863115 0.37890103 -0.69713854]  
moved plane far -24.499848458712496 [ 0.60863115 0.37890103 -0.69713854]  

> ~surface #1.1

> surface #!1.1.1

> view #!1.1.1,4 @ zoom 0.75

moved plane near -32.78823181406694 [ 0.60863115 0.37890103 -0.69713854]  
moved plane far -32.78823181406694 [ 0.60863115 0.37890103 -0.69713854]  

> ~surface #1.1

> surface #!1.1.1,4

> view #!1.1.1-2,4 @ zoom 0.75

moved plane near -39.55025183385154 [ 0.60863115 0.37890103 -0.69713854]  
moved plane far -39.55025183385154 [ 0.60863115 0.37890103 -0.69713854]  

> ~surface #1.1

> surface #!1.1.1-2,4

> view #!1.1.1-4 @ zoom 0.75

moved plane near -49.59804632908499 [ 0.60863115 0.37890103 -0.69713854]  
moved plane far -49.59804632908499 [ 0.60863115 0.37890103 -0.69713854]  

> ~surface #1.1

> surface #!1.1.1-4

> view #!1.1.3 @ zoom 0.75

moved plane near -35.65181385822235 [ 0.60863115 0.37890103 -0.69713854]  
moved plane far -35.65181385822235 [ 0.60863115 0.37890103 -0.69713854]  

> ~surface #1.1

> surface #!1.1.3

> view #!1.1.1-4 @ zoom 0.75

moved plane near -49.59804632908499 [ 0.60863115 0.37890103 -0.69713854]  
moved plane far -49.59804632908499 [ 0.60863115 0.37890103 -0.69713854]  

> ~surface #1.1

> surface #!1.1.1-4

> view #!1.1.3 @ zoom 0.75

moved plane near -35.27795093621785 [ 0.63064904 0.38458439 -0.67407467]  
moved plane far -35.27795093621785 [ 0.63064904 0.38458439 -0.67407467]  

> ~surface #1.1

> surface #!1.1.3

> save
> /Users/dayongzhou/Documents/TANGO2_PAPER_FIGURES/2hf0_cavity_KVFinder.cxs

——— End of log from Fri Aug 1 14:06:38 2025 ———

> view name session-start

opened ChimeraX session  

> cartoon style width 1.3 thickness 0.25

> select H

Nothing selected  

> delete atoms


===== Log before crash end =====

Log:
UCSF ChimeraX version: 1.10 (2025-06-26)  
© 2016-2025 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 Metal - 89.3
OpenGL renderer: Apple M2
OpenGL vendor: Apple

Python: 3.11.4
Locale: UTF-8
Qt version: PyQt6 6.8.1, Qt 6.8.2
Qt runtime version: 6.8.2
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Air
      Model Identifier: Mac14,2
      Model Number: MN6Y3CH/A
      Chip: Apple M2
      Total Number of Cores: 8 (4 performance and 4 efficiency)
      Memory: 16 GB
      System Firmware Version: 11881.1.1
      OS Loader Version: 11881.1.1

Software:

    System Software Overview:

      System Version: macOS 15.0.1 (24A348)
      Kernel Version: Darwin 24.0.0
      Time since boot: 31 days, 3 hours, 1 minute

Graphics/Displays:

    Apple M2:

      Chipset Model: Apple M2
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 10
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        Color LCD:
          Display Type: Built-in Liquid Retina Display
          Resolution: 2560 x 1664 Retina
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal


Installed Packages:
    alabaster: 1.0.0
    appdirs: 1.4.4
    appnope: 0.1.4
    asttokens: 3.0.0
    auditwheel: 6.4.0
    babel: 2.17.0
    beautifulsoup4: 4.13.3
    blockdiag: 3.0.0
    blosc2: 3.5.0
    build: 1.2.2.post1
    certifi: 2023.11.17
    cftime: 1.6.4.post1
    charset-normalizer: 3.4.2
    ChimeraX-AddCharge: 1.5.19
    ChimeraX-AddH: 2.2.7
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.6.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.20.2
    ChimeraX-AlphaFold: 1.0.1
    ChimeraX-AltlocExplorer: 1.1.2
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Aniso: 1.1.4
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.60.7
    ChimeraX-AtomicLibrary: 14.1.18
    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: 1.0
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.2
    ChimeraX-BuildStructure: 2.13.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.5.1
    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-Clipper: 0.25.2
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.8
    ChimeraX-CommandLine: 1.3
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.10
    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: 2.5.1
    ChimeraX-Help: 1.3
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.3
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-KVFinder: 1.6.2
    ChimeraX-Label: 1.1.14
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.2
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    ChimeraX-Map: 1.3
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.2.2
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.10.1
    ChimeraX-MedicalToolbar: 1.1
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.16
    ChimeraX-MMTF: 2.2
    ChimeraX-ModelArchive: 1.0
    ChimeraX-Modeller: 1.5.19
    ChimeraX-ModelPanel: 1.5.1
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0.3
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-MutationScores: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.2
    ChimeraX-NMRSTAR: 1.0.2
    ChimeraX-NRRD: 1.2
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.14.1
    ChimeraX-OrthoPick: 1.0.1
    ChimeraX-PDB: 2.7.10
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.4
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1.3
    ChimeraX-ProfileGrids: 1.1.2
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.6.3
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.3.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.3
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-Segmentations: 3.5.7
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.17.1
    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: 1.45.2
    ChimeraX-Umap: 1.0
    ChimeraX-uniprot: 2.3.1
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.4.4
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-vrml: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.5
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.2
    contourpy: 1.3.2
    coverage: 7.9.1
    cxservices: 1.2.3
    cycler: 0.12.1
    Cython: 3.0.12
    debugpy: 1.8.14
    decorator: 5.2.1
    docutils: 0.21.2
    executing: 2.2.0
    filelock: 3.18.0
    fonttools: 4.58.4
    funcparserlib: 2.0.0a0
    glfw: 2.9.0
    grako: 3.16.5
    h5py: 3.14.0
    html2text: 2024.2.26
    idna: 3.10
    ihm: 2.2
    imagecodecs: 2024.6.1
    imagesize: 1.4.1
    iniconfig: 2.1.0
    ipykernel: 6.29.5
    ipython: 8.26.0
    ipywidgets: 8.1.7
    jedi: 0.19.1
    Jinja2: 3.1.6
    jupyter_client: 8.6.3
    jupyter_core: 5.8.1
    jupyterlab_widgets: 3.0.15
    kiwisolver: 1.4.8
    line_profiler: 4.2.0
    lxml: 5.3.1
    lz4: 4.4.4
    MarkupSafe: 3.0.2
    matplotlib: 3.10.1
    matplotlib-inline: 0.1.7
    msgpack: 1.1.0
    narwhals: 1.48.0
    ndindex: 1.10.0
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.11.0
    numpy: 2.2.6
    numpy: 1.26.4
    OpenMM: 8.2.0
    openvr: 1.26.701
    packaging: 24.2
    ParmEd: 4.2.2
    parso: 0.8.4
    pep517: 0.13.1
    pexpect: 4.9.0
    pickleshare: 0.7.5
    pillow: 10.4.0
    pip: 25.0.1
    pkginfo: 1.11.1
    platformdirs: 4.3.8
    plotly: 6.0.1
    pluggy: 1.6.0
    prompt_toolkit: 3.0.51
    psutil: 7.0.0
    ptyprocess: 0.7.0
    pure_eval: 0.2.3
    py-cpuinfo: 9.0.0
    pycollada: 0.8
    pydicom: 2.4.4
    pyelftools: 0.32
    Pygments: 2.18.0
    pyKVFinder: 0.8.1
    pynmrstar: 3.3.5
    pynrrd: 1.0.0
    PyOpenGL: 3.1.9
    PyOpenGL-accelerate: 3.1.9
    pyopenxr: 1.1.4501
    pyparsing: 3.2.3
    pyproject_hooks: 1.2.0
    PyQt6-commercial: 6.8.1
    PyQt6-Qt6: 6.8.2
    PyQt6-WebEngine-commercial: 6.8.0
    PyQt6-WebEngine-Qt6: 6.8.2
    PyQt6_sip: 13.10.0
    pytest: 8.4.1
    pytest-cov: 6.2.1
    python-dateutil: 2.9.0.post0
    pytz: 2025.2
    pyzmq: 27.0.0
    qtconsole: 5.5.2
    QtPy: 2.4.3
    qtshim: 1.1
    RandomWords: 0.4.0
    requests: 2.32.3
    roman-numerals-py: 3.1.0
    scipy: 1.14.0
    setuptools: 78.1.0
    sfftk-rw: 0.8.1
    six: 1.16.0
    snowballstemmer: 3.0.1
    sortedcontainers: 2.4.0
    soupsieve: 2.7
    Sphinx: 8.2.3
    sphinx-autodoc-typehints: 3.1.0
    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
    stack-data: 0.6.3
    superqt: 0.7.1
    tables: 3.10.2
    tcia_utils: 1.5.1
    tifffile: 2025.3.13
    tinyarray: 1.2.4
    tomlkit: 0.13.2
    tornado: 6.5.1
    traitlets: 5.14.3
    typing_extensions: 4.14.0
    tzdata: 2025.2
    urllib3: 2.5.0
    wcwidth: 0.2.13
    webcolors: 24.11.1
    wheel: 0.45.1
    wheel-filename: 1.4.2
    widgetsnbextension: 4.0.14
}}}
"	defect	closed	normal		Core		fixed						all	ChimeraX
