| Version 2 (modified by , 9 years ago) ( diff ) |
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Trac Ticket Queries
Table of Contents
In addition to reports, Trac provides support for custom ticket queries, which can be used to display tickets that meet specified criteria.
To configure and execute a custom query, switch to the View Tickets module from the navigation bar, and select the Custom Query link.
Filters
When you first go to the query page, the default filter will display tickets relevant to you:
- If logged in then all open tickets, it will display open tickets assigned to you.
- If not logged in but you have specified a name or email address in the preferences, then it will display all open tickets where your email (or name if email not defined) is in the CC list.
- If not logged in and no name/email is defined in the preferences, then all open issues are displayed.
Current filters can be removed by clicking the button to the left with the minus sign on the label. New filters are added from the pulldown lists at the bottom corners of the filters box; 'And' conditions on the left, 'Or' conditions on the right. Filters with either a text box or a pulldown menu of options can be added multiple times to perform an Or on the criteria.
You can use the fields just below the filters box to group the results based on a field, or display the full description for each ticket.
After you have edited your filters, click the Update button to refresh your results.
Some shortcuts can be used to manipulate checkbox filters.
- Clicking on a filter row label toggles all checkboxes.
- Pressing the modifier key while clicking on a filter row label inverts the state of all checkboxes.
- Pressing the modifier key while clicking on a checkbox selects the checkbox and deselects all other checkboxes in the filter.
The modifier key is platform and browser dependent. On Mac the modified key is Option/Alt or Command. On Linux the modifier key is Ctrl + Alt. Opera on Windows seems to use Ctrl + Alt, while Alt is effective for other Windows browsers.
Navigating Tickets
Clicking on one of the query results will take you to that ticket. You can navigate through the results by clicking the Next Ticket or Previous Ticket links just below the main menu bar, or click the Back to Query link to return to the query page.
You can safely edit any of the tickets and continue to navigate through the results using the Next/Previous/Back to Query links after saving your results. When you return to the query any tickets which were edited will be displayed with italicized text. If one of the tickets was edited such that it no longer matches the query criteria , the text will also be greyed. Lastly, if a new ticket matching the query criteria has been created, it will be shown in bold.
The query results can be refreshed and cleared of these status indicators by clicking the Update button again.
Saving Queries
Trac allows you to save the query as a named query accessible from the reports module. To save a query ensure that you have Updated the view and then click the Save query button displayed beneath the results. You can also save references to queries in Wiki content, as described below.
Note: one way to easily build queries like the ones below, you can build and test the queries in the Custom report module and when ready - click Save query. This will build the query string for you. All you need to do is remove the extra line breaks.
Note: you must have the REPORT_CREATE permission in order to save queries to the list of default reports. The Save query button will only appear if you are logged in as a user that has been granted this permission. If your account does not have permission to create reports, you can still use the methods below to save a query.
Using TracLinks
You may want to save some queries so that you can come back to them later. You can do this by making a link to the query from any Wiki page.
[query:status=new|assigned|reopened&version=1.0 Active tickets against 1.0]
Which is displayed as:
This uses a very simple query language to specify the criteria, see Query Language.
Alternatively, you can copy the query string of a query and paste that into the Wiki link, including the leading ? character:
[query:?status=new&status=assigned&status=reopened&group=owner Assigned tickets by owner]
Which is displayed as:
Customizing the table format
You can also customize the columns displayed in the table format (format=table) by using col=<field>. You can specify multiple fields and what order they are displayed in by placing pipes (|) between the columns:
[[TicketQuery(max=3,status=closed,order=id,desc=1,format=table,col=resolution|summary|owner|reporter)]]
This is displayed as:
Results (1 - 3 of 13395)
Full rows
In table format you can also have full rows by using rows=<field>:
[[TicketQuery(max=3,status=closed,order=id,desc=1,format=table,col=resolution|summary|owner|reporter,rows=description)]]
This is displayed as:
Results (1 - 3 of 13395)
| Ticket | Resolution | Summary | Owner | Reporter |
|---|---|---|---|---|
| #19768 | duplicate | Crash in swap_buffers when status line exposed Mac Qt 6.9.2 | ||
| 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.
Fatal Python error: Bus error
Current thread 0x00000001f905ec40 (most recent call first):
File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/graphics/opengl.py", line 248 in swap_buffers
File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/graphics/opengl.py", line 561 in swap_buffers
File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/statusbar.py", line 166 in status
File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/statusbar.py", line 98 in _expose_event
File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 414 in event_loop
File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1064 in init
File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1229 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.map._map, psutil._psutil_osx, psutil._psutil_posix, chimerax.surface._surface, chimerax.pdb_lib._load_libs, PIL._imaging, 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, 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, PIL._imagingmath, chimerax.mlp._mlp, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw, chimerax.atom_search.ast, chimerax.chem_group._chem_group, chimerax.coulombic._esp (total: 63)
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MALLOC_LARGE 648000000-64b3ac000 [ 51.7M] rw-\/rwx SM=PRV
GAP OF 0x6cc54000 BYTES
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MALLOC_LARGE 648000000-64b3ac000 [ 51.7M] rw-\/rwx SM=PRV
GAP OF 0x6cc54000 BYTES
---> commpage (reserved) 6b8000000-9b3400000 [ 11.9G] ---\/--- SM=NUL reserved VM address space (unallocated)
MALLOC_SMALL 9b3400000-9b3800000 [ 4096K] rw-\/rwx SM=PRV ",
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===== Log before crash start =====
UCSF 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/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/20250121/GP-1-cut.cxs format session
> view name session-start
opened ChimeraX session
> select #1 :20,105,140
24 atoms, 22 bonds, 3 residues, 1 model selected
> color bfactor sel
24 atoms, 3 residues, atom bfactor range 97 to 98.7
> select add #1
3562 atoms, 3640 bonds, 1 pseudobond, 490 residues, 4 models selected
> color bfactor sel
3562 atoms, 490 residues, atom bfactor range 0 to 98.9
> select subtract #1
Nothing selected
> select #1 :20,105,140
24 atoms, 22 bonds, 3 residues, 1 model selected
> save /Users/kouei/Desktop/image52.png supersample 3
> close session
> open /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/20250121/J-2-cut.cxs format session
> view name session-start
opened ChimeraX session
> color bfactor
3558 atoms, 490 residues, atom bfactor range 0 to 98.9
> select #1 :20,105,140
24 atoms, 22 bonds, 3 residues, 1 model selected
> save /Users/kouei/Desktop/image53.png supersample 3
> close session
> open /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/20250121/GP-2-cut.cxs format session
> view name session-start
opened ChimeraX session
> color bfactor
3519 atoms, 489 residues, 1 surfaces, atom bfactor range 0 to 98.9
> select #1 :20,105,140
24 atoms, 22 bonds, 3 residues, 1 model selected
> save /Users/kouei/Desktop/image54.png supersample 3
> close session
> open /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/20250121/J-3-cut.cxs format session
> view name session-start
opened ChimeraX session
> color bfactor
3360 atoms, 464 residues, atom bfactor range 0 to 98.4
> select #1 :140,215,274
24 atoms, 22 bonds, 3 residues, 1 model selected
> save /Users/kouei/Desktop/image55.png supersample 3
> mlp sel
Map values for surface "fold_j3_signalcut_model_0.cif_A SES surface": minimum
-30.06, mean -6.987, maximum 21.46
To also show corresponding color key, enter the above mlp command and add key
true
> select add #1
3360 atoms, 3442 bonds, 1 pseudobond, 464 residues, 5 models selected
> mlp sel
Map values for surface "fold_j3_signalcut_model_0.cif_A SES surface": minimum
-30.06, mean -6.987, maximum 21.46
To also show corresponding color key, enter the above mlp command and add key
true
> select subtract #1
1 model selected
> select #1 :140,215,274
24 atoms, 22 bonds, 3 residues, 1 model selected
> close session
> open /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/fold_gp_1_signalcut_model_0.cif
> /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/fold_gp_2_signalcut_model_0.cif
> /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/fold_j1_signalcut_model_0.cif
> /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/fold_j2_signalcut_model_0.cif
> /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/fold_j3_signalcut_model_0.cif
Chain information for fold_gp_1_signalcut_model_0.cif #1
---
Chain | Description
A | .
Chain information for fold_gp_2_signalcut_model_0.cif #2
---
Chain | Description
A | .
Chain information for fold_j1_signalcut_model_0.cif #3
---
Chain | Description
A | .
Chain information for fold_j2_signalcut_model_0.cif #4
---
Chain | Description
A | .
Chain information for fold_j3_signalcut_model_0.cif #5
---
Chain | Description
A | .
Computing secondary structure
> mmaker #1 to #2
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker fold_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_gp_1_signalcut_model_0.cif, chain A (#1), sequence alignment score =
2170.8
RMSD between 327 pruned atom pairs is 0.275 angstroms; (across all 487 pairs:
8.106)
> mmaker #3 to #2
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker fold_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_j1_signalcut_model_0.cif, chain A (#3), sequence alignment score = 531.8
RMSD between 4 pruned atom pairs is 0.514 angstroms; (across all 334 pairs:
19.942)
> mmaker #4 to #2
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker fold_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_j2_signalcut_model_0.cif, chain A (#4), sequence alignment score = 2129.9
RMSD between 323 pruned atom pairs is 0.256 angstroms; (across all 487 pairs:
12.630)
> mmaker #5 to #2
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker fold_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_j3_signalcut_model_0.cif, chain A (#5), sequence alignment score = 568.6
RMSD between 72 pruned atom pairs is 0.597 angstroms; (across all 335 pairs:
25.274)
> hide #1 models
> hide #3 models
> hide #4 models
> hide #5 models
> mlp #2
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
To also show corresponding color key, enter the above mlp command and add key
true
> select #2 : 20,105,140
24 atoms, 22 bonds, 3 residues, 1 model selected
> show #1 models
> mlp sel
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
To also show corresponding color key, enter the above mlp command and add key
true
> hide #1 models
> show #1 models
> hide #!2 models
> hide #1 models
> show #!2 models
> mlp sel
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
To also show corresponding color key, enter the above mlp command and add key
true
> select add #2
3517 atoms, 3596 bonds, 487 residues, 2 models selected
> mlp sel
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
To also show corresponding color key, enter the above mlp command and add key
true
> select subtract #2
1 model selected
> select #2 : 20,105,140
24 atoms, 22 bonds, 3 residues, 1 model selected
> set bgColor white
> set bgColor black
> save /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/20250121/5strains.cxs
> show #1 models
> hide #!2 models
> select add #2
3517 atoms, 3596 bonds, 487 residues, 2 models selected
> select add #1
7077 atoms, 7236 bonds, 975 residues, 3 models selected
> select subtract #2
3560 atoms, 3640 bonds, 488 residues, 2 models selected
> mlp sel
Map values for surface "fold_gp_1_signalcut_model_0.cif_A SES surface":
minimum -28.97, mean -7.263, maximum 24.92
To also show corresponding color key, enter the above mlp command and add key
true
> select #2 : 20,105,140
24 atoms, 22 bonds, 3 residues, 1 model selected
> select #2 : 20,105,140
24 atoms, 22 bonds, 3 residues, 1 model selected
> select #1 : 20,105,140
24 atoms, 22 bonds, 3 residues, 1 model selected
> select add #1
3560 atoms, 3640 bonds, 488 residues, 2 models selected
> select subtract #1
1 model selected
> hide #!1 models
> show #4 models
> mlp #4
Map values for surface "fold_j2_signalcut_model_0.cif_A SES surface": minimum
-29.06, mean -7.334, maximum 23.95
To also show corresponding color key, enter the above mlp command and add key
true
> select #1 : 20,105,140
24 atoms, 22 bonds, 3 residues, 1 model selected
> select #4 : 20,105,140
24 atoms, 22 bonds, 3 residues, 1 model selected
> show #3 models
> hide #!4 models
> select add #4
3556 atoms, 3636 bonds, 488 residues, 2 models selected
> mlp #3
Map values for surface "fold_j1_signalcut_model_0.cif_A SES surface": minimum
-28.93, mean -6.652, maximum 22.08
To also show corresponding color key, enter the above mlp command and add key
true
> select #3 : 140,212,271
24 atoms, 22 bonds, 3 residues, 1 model selected
> select add #3
3385 atoms, 3470 bonds, 471 residues, 2 models selected
> select subtract #3
1 model selected
> hide #!3 models
> show #5 models
> mlp #5
Map values for surface "fold_j3_signalcut_model_0.cif_A SES surface": minimum
-29.92, mean -6.99, maximum 21.26
To also show corresponding color key, enter the above mlp command and add key
true
> select #5 : 140,215,274
24 atoms, 22 bonds, 3 residues, 1 model selected
> hide #!5 models
> show #!4 models
> hide #!4 models
> show #!3 models
> hide #!3 models
> show #!2 models
> view
> show #!1 models
> show #!3 models
> hide #!2 models
> hide #!3 models
> view
> hide #!1 models
> show #!2 models
> view
> ui mousemode right distance
> sequence chain #5/A
Alignment identifier is 5/A
> ui mousemode #2 : 468 to 438
> mousemode #2 : 468 to 438
Expected a keyword
> ui mousemode #2 : 468 438
> mousemode #2 : 468 438
Expected a keyword
> distance #2/A:468@CE2 #2/A:468@CZ
Distance between fold_gp_2_signalcut_model_0.cif #2/A PHE 468 CE2 and CZ:
1.407Å
> distance #2/A:438@CZ #2/A:468@CZ
Distance between fold_gp_2_signalcut_model_0.cif #2/A TYR 438 CZ and PHE 468
CZ: 11.381Å
> distance #2/A:465@CZ3 #2/A:438@CZ
Distance between fold_gp_2_signalcut_model_0.cif #2/A TRP 465 CZ3 and TYR 438
CZ: 6.446Å
> distance #2/A:465@CH2 #2/A:438@CZ
Distance between fold_gp_2_signalcut_model_0.cif #2/A TRP 465 CH2 and TYR 438
CZ: 5.405Å
> view
> distance #2/A:465@CZ3 #2/A:438@CE1
Distance between fold_gp_2_signalcut_model_0.cif #2/A TRP 465 CZ3 and TYR 438
CE1: 7.489Å
> distance #2/A:465@CE3 #2/A:467@CG1
Distance between fold_gp_2_signalcut_model_0.cif #2/A TRP 465 CE3 and VAL 467
CG1: 8.815Å
> distance #2/A:465@CE3 #2/A:438@CG
Distance between fold_gp_2_signalcut_model_0.cif #2/A TRP 465 CE3 and TYR 438
CG: 6.201Å
> coulombic #!2
Using Amber 20 recommended default charges and atom types for standard
residues
Coulombic values for fold_gp_2_signalcut_model_0.cif_A SES surface #2.1:
minimum, -10.97, mean -0.67, maximum 10.78
To also show corresponding color key, enter the above coulombic command and
add key true
> rainbow #!2
> color #!2 bypolymer
> color #!2 bychain
> color #!2 byhetero
> color bfactor #!2
3517 atoms, 487 residues, 1 surfaces, atom bfactor range 21.7 to 98.9
> hide #!2 surfaces
> show #!2 surfaces
> color bfactor #!2
3517 atoms, 487 residues, 1 surfaces, atom bfactor range 21.7 to 98.9
> color bfactor #!2
3517 atoms, 487 residues, 1 surfaces, atom bfactor range 21.7 to 98.9
> mlp #!2
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
To also show corresponding color key, enter the above mlp command and add key
true
> hide #!2 surfaces
> mlp #!2
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
To also show corresponding color key, enter the above mlp command and add key
true
> hide #!2 surfaces
> show #!2 atoms
> ui mousemode right "delete markers"
> select add #5
3358 atoms, 3442 bonds, 462 residues, 2 models selected
> select subtract #5
1 model selected
> select add #6
7 pseudobonds, 2 models selected
> close #6
> mlp #!2
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
To also show corresponding color key, enter the above mlp command and add key
true
> hide #!2 surfaces
> mlp #!2
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
To also show corresponding color key, enter the above mlp command and add key
true
> ui mousemode right distance
> distance #2/A:468@CZ #2/A:438@CE1
Distance between fold_gp_2_signalcut_model_0.cif #2/A PHE 468 CZ and TYR 438
CE1: 10.969Å
> distance #2/A:438@CE1 #2/A:465@CZ3
Distance between fold_gp_2_signalcut_model_0.cif #2/A TYR 438 CE1 and TRP 465
CZ3: 7.489Å
> hide #!2 surfaces
> select add #6
2 pseudobonds, 2 models selected
> hide #!2 models
> close #2
> hide #6 models
> close #6
> close session
> open /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/20250121/GP-2-cut.cxs format session
> view name session-start
opened ChimeraX session
> mlp
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
To also show corresponding color key, enter the above mlp command and add key
true
> hide surfaces
> mlp
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
To also show corresponding color key, enter the above mlp command and add key
true
> ui mousemode right distance
> distance #!1/A:465@CZ3 #!1/A:438@CZ
Distance between fold_gp_2_signalcut_model_0.cif #!1/A TRP 465 CZ3 and TYR 438
CZ: 6.446Å
> hide #!1 models
> select add #2
2 pseudobonds, 2 models selected
> close #1
> close
> open /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/20250121/5strains.cxs format session
> view name session-start
opened ChimeraX session
> ui mousemode right "play map series"
> ui mousemode right "map eraser"
> select add #6
24 atoms, 22 bonds, 3 residues, 2 models selected
> select add #2
3517 atoms, 3596 bonds, 487 residues, 2 models selected
> select subtract #2
2 models selected
> hide #!2 models
> close
> open /Users/kouei/Library/CloudStorage/GoogleDrive-
> daxiazihy@keio.jp/共有ドライブ/宮本研微生物班/研究データ/論文用データ/PHBH-
> GP2/AlphaFold3_Signal6.0_signalcut/20250121/5strains.cxs format session
> view name session-start
opened ChimeraX session
> select add #1
3584 atoms, 3662 bonds, 491 residues, 2 models selected
> show #1 models
> select subtract #1
24 atoms, 22 bonds, 3 residues, 1 model selected
> mlp sel
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
To also show corresponding color key, enter the above mlp command and add key
true
> mlp sel
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
To also show corresponding color key, enter the above mlp command and add key
true
> select add #1
3584 atoms, 3662 bonds, 491 residues, 2 models selected
> select add #2
7077 atoms, 7236 bonds, 975 residues, 2 models selected
> mlp sel
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
Map values for surface "fold_gp_1_signalcut_model_0.cif_A SES surface":
minimum -28.97, mean -7.263, maximum 24.92
To also show corresponding color key, enter the above mlp command and add key
true
> sequence chain #1/A
Alignment identifier is 1/A
> sequence chain #2/A
Alignment identifier is 2/A
> select subtract #1
3517 atoms, 3596 bonds, 487 residues, 3 models selected
> select subtract #2
1 model selected
> mmaker #1 : 470 to #2 : 469
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_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_gp_1_signalcut_model_0.cif, chain A (#1), sequence alignment score = 0.5
Fewer than 3 residues aligned; cannot match fold_gp_2_signalcut_model_0.cif,
chain A with fold_gp_1_signalcut_model_0.cif, chain A
> mmaker #1 : 438-488 to #2 : 437-487
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_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_gp_1_signalcut_model_0.cif, chain A (#1), sequence alignment score =
263.7
RMSD between 51 pruned atom pairs is 0.107 angstroms; (across all 51 pairs:
0.107)
> view
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> hide #!1 models
> show #!1 models
> show #!2 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!2 models
> color bfactor #!1
3560 atoms, 488 residues, 1 surfaces, atom bfactor range 18.6 to 98.9
> show #!2 models
> color bfactor #!1-2
7077 atoms, 975 residues, 2 surfaces, atom bfactor range 18.6 to 98.9
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> hide #!2 models
> show #!2 models
> show #!1 models
> view
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> mlp #!1-2
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
Map values for surface "fold_gp_1_signalcut_model_0.cif_A SES surface":
minimum -27.95, mean -7.255, maximum 25
To also show corresponding color key, enter the above mlp command and add key
true
> color bfactor #!1-2
7077 atoms, 975 residues, 2 surfaces, atom bfactor range 18.6 to 98.9
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> mlp #!1-2
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
Map values for surface "fold_gp_1_signalcut_model_0.cif_A SES surface":
minimum -27.95, mean -7.255, maximum 25
To also show corresponding color key, enter the above mlp command and add key
true
> view orient
> color bfactor #!1-2
7077 atoms, 975 residues, 2 surfaces, atom bfactor range 18.6 to 98.9
> mlp #!1-2
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
Map values for surface "fold_gp_1_signalcut_model_0.cif_A SES surface":
minimum -27.95, mean -7.255, maximum 25
To also show corresponding color key, enter the above mlp command and add key
true
> hide #!1 models
> show #!1 models
> show #3 models
> mmaker #3 : 438-488 to #2 : 437-487
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_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_j1_signalcut_model_0.cif, chain A (#3), sequence alignment score = 123.3
RMSD between 31 pruned atom pairs is 0.297 angstroms; (across all 34 pairs:
1.703)
> mlp #3#!1-2
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
Map values for surface "fold_j1_signalcut_model_0.cif_A SES surface": minimum
-29.02, mean -6.647, maximum 21.51
Map values for surface "fold_gp_1_signalcut_model_0.cif_A SES surface":
minimum -27.95, mean -7.255, maximum 25
To also show corresponding color key, enter the above mlp command and add key
true
> sequence chain #1/A
Destroying pre-existing alignment with identifier 1/A
Alignment identifier is 1/A
> sequence chain #2/A
Destroying pre-existing alignment with identifier 2/A
Alignment identifier is 2/A
> sequence chain #3/A
Alignment identifier is 3/A
> sequence chain #4/A
Alignment identifier is 4/A
> sequence chain #5/A
Alignment identifier is 5/A
> mmaker #3 : 422-451 to #2 : 437-487
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_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_j1_signalcut_model_0.cif, chain A (#3), sequence alignment score = 106.7
RMSD between 29 pruned atom pairs is 0.292 angstroms; (across all 30 pairs:
0.656)
> mmaker #4 : 438-488 to #2 : 437-487
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_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_j2_signalcut_model_0.cif, chain A (#4), sequence alignment score = 243.3
RMSD between 51 pruned atom pairs is 0.240 angstroms; (across all 51 pairs:
0.240)
> hide #!3 models
> show #4 models
> mlp #4#!1-2
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
Map values for surface "fold_j2_signalcut_model_0.cif_A SES surface": minimum
-28.64, mean -7.335, maximum 23.55
Map values for surface "fold_gp_1_signalcut_model_0.cif_A SES surface":
minimum -27.95, mean -7.255, maximum 25
To also show corresponding color key, enter the above mlp command and add key
true
> select add #4
3556 atoms, 3636 bonds, 488 residues, 1 model selected
> mlp sel
Map values for surface "fold_j2_signalcut_model_0.cif_A SES surface": minimum
-28.64, mean -7.335, maximum 23.55
To also show corresponding color key, enter the above mlp command and add key
true
> select subtract #4
1 model selected
> hide #!4 models
> show #!4 models
> hide #!4 models
> show #!4 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> hide #!2 models
> show #!2 models
> color bfactor #!2,4
7073 atoms, 975 residues, 2 surfaces, atom bfactor range 19.5 to 98.9
> show #!1 models
> color bfactor #!1-2,4
10633 atoms, 1463 residues, 3 surfaces, atom bfactor range 18.6 to 98.9
> hide #!1 models
> show #!1 models
> hide #!1 models
> hide #!2 models
> show #!2 models
> mlp #!2,4
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
Map values for surface "fold_j2_signalcut_model_0.cif_A SES surface": minimum
-28.64, mean -7.335, maximum 23.55
To also show corresponding color key, enter the above mlp command and add key
true
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!1 models
> mlp #!1,4
Map values for surface "fold_j2_signalcut_model_0.cif_A SES surface": minimum
-28.64, mean -7.335, maximum 23.55
Map values for surface "fold_gp_1_signalcut_model_0.cif_A SES surface":
minimum -27.95, mean -7.255, maximum 25
To also show corresponding color key, enter the above mlp command and add key
true
> show #!2 models
> view
> hide #!1 models
> hide #!2 models
> hide #!4 models
> show #!3 models
> show #5 models
> mlp #5#!3
Map values for surface "fold_j1_signalcut_model_0.cif_A SES surface": minimum
-28.46, mean -6.648, maximum 21.6
Map values for surface "fold_j3_signalcut_model_0.cif_A SES surface": minimum
-29.92, mean -6.99, maximum 21.26
To also show corresponding color key, enter the above mlp command and add key
true
> mmaker #5 : 412-462 to #2 : 437-487
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_gp_2_signalcut_model_0.cif, chain A (#2) with
fold_j3_signalcut_model_0.cif, chain A (#5), sequence alignment score = 199.9
RMSD between 48 pruned atom pairs is 0.326 angstroms; (across all 51 pairs:
1.314)
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!5 models
> show #!5 models
> hide #!5 models
> show #!5 models
> hide #!5 models
> show #!5 models
> hide #!5 models
> show #!5 models
> hide #!5 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> interfaces #!3 & ~solvent
0 buried areas:
> hide #!3 models
> show #!2 models
> interfaces #!2 & ~solvent
0 buried areas:
> select add #2
3517 atoms, 3596 bonds, 487 residues, 1 model selected
> interfaces select & ~solvent
Missing or invalid "atoms" argument: invalid atoms specifier
> select subtract #2
1 model selected
> ui mousemode right "tape measure"
> view orient
> select #2/A:274@ND2
1 atom, 1 residue, 1 model selected
> select #2/A:137@CA
1 atom, 1 residue, 1 model selected
> select add #2/A:274@ND2
2 atoms, 2 residues, 2 models selected
> ui mousemode right "tape measure"
> segmentations mouseModes true
> ui mousemode shift wheel 'resize segmentation cursor'
> ui mousemode right 'create segmentations'
> ui mousemode shift right 'erase segmentations'
> ui mousemode shift middle 'move segmentation cursor'
> select #2/A:137@CA
1 atom, 1 residue, 1 model selected
> select add #2/A:274@ND2
2 atoms, 2 residues, 2 models selected
> ui mousemode right distance
> select add #2
3517 atoms, 3596 bonds, 487 residues, 2 models selected
> select subtract #2
1 model selected
> select #2/A:137@CA
1 atom, 1 residue, 1 model selected
> select add #2/A:274@ND2
2 atoms, 2 residues, 2 models selected
> ui mousemode right distance
> hide sel surfaces
> select add #2
3517 atoms, 3596 bonds, 487 residues, 2 models selected
> hide sel surfaces
> mlp sel
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
To also show corresponding color key, enter the above mlp command and add key
true
> ui mousemode right distance
> select subtract #2
1 model selected
> select #2/A:137@CA
1 atom, 1 residue, 1 model selected
> select #2/A:274@ND2
1 atom, 1 residue, 1 model selected
> select add #2/A:137@CA
2 atoms, 2 residues, 2 models selected
> distance
Missing or invalid "objects" argument: empty atom specifier
> ui mousemode right distance
> hide #!2 models
> hide #2.1 models
> show #2.1 models
> hide #!2 models
> show #!2 models
> select add #2
3517 atoms, 3596 bonds, 487 residues, 2 models selected
> select subtract #2
1 model selected
> select add #2.1
3517 atoms, 487 residues, 1 model selected
> close #2.1
> select add #2
3517 atoms, 3596 bonds, 487 residues, 1 model selected
> mlp sel
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
To also show corresponding color key, enter the above mlp command and add key
true
> select subtract #2.1
1 model selected
> select #2/A:106@CD2
1 atom, 1 residue, 1 model selected
> select #2/A:156@OG
1 atom, 1 residue, 1 model selected
> distance #2/A:106@CD2 #2/A:156@OG
Distance between fold_gp_2_signalcut_model_0.cif #2/A TYR 106 CD2 and SER 156
OG: 10.486Å
> select #2/A:137@CA
1 atom, 1 residue, 1 model selected
> select #2/A:283@CA
1 atom, 1 residue, 1 model selected
> select #2/A:282@O
1 atom, 1 residue, 1 model selected
> distance #2/A:137@CA #2/A:282@O
Distance between fold_gp_2_signalcut_model_0.cif #2/A GLY 137 CA and SER 282
O: 33.320Å
> select #2/A:157@CB
1 atom, 1 residue, 1 model selected
> select #2/A:161@CE1
1 atom, 1 residue, 1 model selected
> select #2/A:283@CB
1 atom, 1 residue, 1 model selected
> distance #2/A:161@CE1 #2/A:283@CB
Distance between fold_gp_2_signalcut_model_0.cif #2/A TYR 161 CE1 and LEU 283
CB: 18.328Å
> close #6
> distance #2/A:137@CA #2/A:157@O
Distance between fold_gp_2_signalcut_model_0.cif #2/A GLY 137 CA and SER 157
O: 13.652Å
> select add #2
3517 atoms, 3596 bonds, 1 pseudobond, 487 residues, 3 models selected
> select subtract #2
1 model selected
> select add #6
1 pseudobond, 2 models selected
> close #6
> distance #2/A:283@CB #2/A:161@CE1
Distance between fold_gp_2_signalcut_model_0.cif #2/A LEU 283 CB and TYR 161
CE1: 18.328Å
> distance #2/A:161@CE1 #2/A:283@CD2
Distance between fold_gp_2_signalcut_model_0.cif #2/A TYR 161 CE1 and LEU 283
CD2: 18.371Å
> distance #2/A:157@O #2/A:283@CA
Distance between fold_gp_2_signalcut_model_0.cif #2/A SER 157 O and LEU 283
CA: 20.938Å
> show #!1 models
> hide #!1 models
> show #!4 models
> hide #!4 models
> show #!1 models
> hide #!1 models
> color bfactor #!2
3517 atoms, 487 residues, 1 surfaces, atom bfactor range 21.7 to 98.9
> mlp #!2
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
To also show corresponding color key, enter the above mlp command and add key
true
> show #!1 models
> hide #!2 models
> hide #2.1 models
> view
> select #1/A:157@CB
1 atom, 1 residue, 1 model selected
> select #1/A:283@CA
1 atom, 1 residue, 1 model selected
> select #1/A:157@CB
1 atom, 1 residue, 1 model selected
> select add #1/A:283@CA
2 atoms, 2 residues, 2 models selected
> distance #1/A:157@CB #1/A:283@CA
Distance between fold_gp_1_signalcut_model_0.cif #1/A SER 157 CB and LEU 283
CA: 21.621Å
> select #1/A:161@CE1
1 atom, 1 residue, 1 model selected
> distance #1/A:157@O #1/A:283@CB
Distance between fold_gp_1_signalcut_model_0.cif #1/A SER 157 O and LEU 283
CB: 20.168Å
> hide #!1 models
> show #!4 models
> view
> select #4/A:157@CB
1 atom, 1 residue, 1 model selected
> select #4/A:283@CB
1 atom, 1 residue, 1 model selected
> select #4/A:157@CB
1 atom, 1 residue, 1 model selected
> select add #4/A:284@N
2 atoms, 2 residues, 2 models selected
> distance #4/A:157@CB #4/A:284@N
Distance between fold_j2_signalcut_model_0.cif #4/A SER 157 CB and ALA 284 N:
21.189Å
> select #4/A:161@CE1
1 atom, 1 residue, 1 model selected
> select add #4/A:284@N
2 atoms, 2 residues, 2 models selected
> distance #4/A:284@N #4/A:161@CE1
Distance between fold_j2_signalcut_model_0.cif #4/A ALA 284 N and TYR 161 CE1:
18.630Å
> select #4/A:161@CE1
1 atom, 1 residue, 1 model selected
> select #4/A:284@N
1 atom, 1 residue, 1 model selected
> select add #4/A:161@CE1
2 atoms, 2 residues, 2 models selected
> select #4/A:161@OH
1 atom, 1 residue, 1 model selected
> select #4/A:283@CD2
1 atom, 1 residue, 1 model selected
> distance #4/A:284@N #4/A:161@OH
Distance between fold_j2_signalcut_model_0.cif #4/A ALA 284 N and TYR 161 OH:
16.996Å
> select #4/A:161@CE1
1 atom, 1 residue, 1 model selected
> distance #4/A:283@CB #4/A:284@N
Distance between fold_j2_signalcut_model_0.cif #4/A LEU 283 CB and ALA 284 N:
3.272Å
> select #4/A:283@CB
1 atom, 1 residue, 1 model selected
> distance #4/A:161@CE1 #4/A:283@CB
Distance between fold_j2_signalcut_model_0.cif #4/A TYR 161 CE1 and LEU 283
CB: 18.481Å
> distance #4/A:287@ND2 #4/A:60@CE
Distance between fold_j2_signalcut_model_0.cif #4/A ASN 287 ND2 and MET 60 CE:
7.999Å
> distance #4/A:236@NE2 #4/A:107@CG2
Distance between fold_j2_signalcut_model_0.cif #4/A GLN 236 NE2 and THR 107
CG2: 8.538Å
> hide #!4 models
> show #!5 models
> distance #5/A:287@OH #5/A:173@CZ3
Distance between fold_j3_signalcut_model_0.cif #5/A TYR 287 OH and TRP 173
CZ3: 15.036Å
> distance #5/A:287@OH #5/A:172@CB
Distance between fold_j3_signalcut_model_0.cif #5/A TYR 287 OH and ARG 172 CB:
14.231Å
> hide #!5 models
> show #!3 models
> sequence chain #4/A
Alignment identifier is 4/A
> select
> #4/A:20-32,50-53,56-59,67-82,89-94,110-122,127-129,169-178,190-192,199-201,218-221,239-249,252-258,306-320,438-443
884 atoms, 884 bonds, 118 residues, 1 model selected
> select #3 : 20
8 atoms, 7 bonds, 1 residue, 1 model selected
> color bfactor sel
8 atoms, 1 residues, 1 surfaces, atom bfactor range 80.8 to 91.5
> color bfactor sel
8 atoms, 1 residues, 1 surfaces, atom bfactor range 80.8 to 91.5
> sequence chain #3/A
Alignment identifier is 3/A
> select #3 : 140
6 atoms, 5 bonds, 1 residue, 1 model selected
> color bfactor sel
6 atoms, 1 residues, 1 surfaces, atom bfactor range 91.1 to 95.3
> select add #3
3385 atoms, 3470 bonds, 471 residues, 2 models selected
> mlp sel
Map values for surface "fold_j1_signalcut_model_0.cif_A SES surface": minimum
-28.46, mean -6.648, maximum 21.6
To also show corresponding color key, enter the above mlp command and add key
true
> view
> distance #3/A:172@CB #3/A:284@OH
Distance between fold_j1_signalcut_model_0.cif #3/A THR 172 CB and TYR 284 OH:
14.607Å
> select #3 : 140
6 atoms, 5 bonds, 1 residue, 1 model selected
> style sel stick
Changed 6 atom styles
> style sel stick
Changed 6 atom styles
> color bfactor sel
6 atoms, 1 residues, 1 surfaces, atom bfactor range 91.1 to 95.3
> mlp sel
Map values for surface "fold_j1_signalcut_model_0.cif_A SES surface": minimum
-28.46, mean -6.648, maximum 21.6
To also show corresponding color key, enter the above mlp command and add key
true
> mlp sel
Map values for surface "fold_j1_signalcut_model_0.cif_A SES surface": minimum
-28.46, mean -6.648, maximum 21.6
To also show corresponding color key, enter the above mlp command and add key
true
> mlp sel
Map values for surface "fold_j1_signalcut_model_0.cif_A SES surface": minimum
-28.46, mean -6.648, maximum 21.6
To also show corresponding color key, enter the above mlp command and add key
true
> color bfactor sel
6 atoms, 1 residues, 1 surfaces, atom bfactor range 91.1 to 95.3
> hide sel surfaces
> show #!2 models
> hide #!3 models
> mlp #!2
Map values for surface "fold_gp_2_signalcut_model_0.cif_A SES surface":
minimum -31.3, mean -7.297, maximum 24.15
To also show corresponding color key, enter the above mlp command and add key
true
> view
===== Log before crash end =====
Log:
UCSF ChimeraX version: 1.11 (2025-12-17)
© 2016-2025 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
OpenGL version: 4.1 Metal - 90.5
OpenGL renderer: Apple M1 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: Mac Studio
Model Identifier: Mac13,1
Model Number: Z14J000HDJ/A
Chip: Apple M1 Max
Total Number of Cores: 10 (8 performance and 2 efficiency)
Memory: 64 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: 4日 6時間 20分
Graphics/Displays:
Apple M1 Max:
Chipset Model: Apple M1 Max
Type: GPU
Bus: Built-In
Total Number of Cores: 32
Vendor: Apple (0x106b)
Metal Support: Metal 4
Displays:
EV3240X:
Resolution: 5120 x 2880 (5K/UHD+ - Ultra High Definition Plus)
UI Looks like: 2560 x 1440 @ 60.00Hz
Main Display: Yes
Mirror: Off
Online: Yes
Rotation: Supported
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
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
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
ndindex: 1.10.1
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.14.1
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
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
pynmrstar: 3.3.6
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
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
tifffile: 2025.3.13
tinyarray: 1.2.5
tornado: 6.5.4
traitlets: 5.14.3
typing-inspection: 0.4.2
typing_extensions: 4.15.0
tzdata: 2025.3
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
|
|||
| #19767 | fixed | Segment map shows misaligned segmentation surfaces | ||
| Description |
The following bug report has been submitted:
Platform: macOS-26.2-arm64-arm-64bit
ChimeraX Version: 1.12.dev202601202355 (2026-01-20 23:55:30 UTC)
Description
Segment map on a map that has been moved in scene coordinates shows the segmentation surfaces in the wrong place. Reported by Alexis Rohou on the ChimeraX mailing list.
Log:
UCSF ChimeraX version: 1.12.dev202601202355 (2026-01-20)
© 2016-2026 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open 63190 format ccp4 fromDatabase emdb
Opened emdb 63190 as #1, grid size 256,256,256, pixel 0.85, shown at level
0.256, step 1, values float32, fit PDB 9ll0
> ui mousemode right "move picked models"
> view matrix models
> #1,0.76001,-0.076636,0.64538,-3.9507,-0.64783,-0.0098256,0.76173,127.09,-0.052035,-0.99701,-0.057115,224.26
> volume #1 level 0.3805
> ui tool show "Segment Map"
Segmenting emdb 63190, density threshold 0.380455
Only showing 60 of 61 regions.
Showing 60 of 61 region surfaces
626 watershed regions, grouped to 61 regions
Showing emdb 63190.seg - 61 regions, 60 surfaces
OpenGL version: 4.1 Metal - 90.5
OpenGL renderer: Apple M1 Max
OpenGL vendor: Apple
Python: 3.11.9
Locale: en_US.UTF-8
Qt version: PyQt6 6.10.2, Qt 6.10.0
Qt runtime version: 6.10.1
Qt platform: cocoa
Hardware:
Hardware Overview:
Model Name: MacBook Pro
Model Identifier: MacBookPro18,2
Model Number: MK1H3LL/A
Chip: Apple M1 Max
Total Number of Cores: 10 (8 performance and 2 efficiency)
Memory: 32 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: 20 hours, 37 minutes
Graphics/Displays:
Apple M1 Max:
Chipset Model: Apple M1 Max
Type: GPU
Bus: Built-In
Total Number of Cores: 32
Vendor: Apple (0x106b)
Metal Support: Metal 4
Displays:
Color LCD:
Display Type: Built-in Liquid Retina XDR Display
Resolution: 3456 x 2234 Retina
Main Display: Yes
Mirror: Off
Online: Yes
Automatically Adjust Brightness: No
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: 4.12.1
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: 2025.8.3
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: 1.63.0
ChimeraX-AtomicLibrary: 14.2.3
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: 1.3.1
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.12.dev202601202355
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: 1.8
ChimeraX-Label: 1.3
ChimeraX-LightingGUI: 1.0
ChimeraX-ListInfo: 1.3.1
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: 0.2.0
ChimeraX-MDcrds: 2.17.2
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-Minimize: 1.3.4
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.16
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.23
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: 2.7.12
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: 1.5
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.7
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: 2.17.4
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-SNFG: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.19.2
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: 1.50
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: 7.13.1
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: 7.1.0
ipython: 9.9.0
ipython_pygments_lexers: 1.1.1
ipywidgets: 8.1.8
jedi: 0.19.2
Jinja2: 3.1.6
jsonschema: 4.26.0
jsonschema-specifications: 2025.9.1
jupyter_client: 8.8.0
jupyter_core: 5.9.1
jupyterlab_widgets: 3.0.16
kiwisolver: 1.4.9
line_profiler: 5.0.0
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
ndindex: 1.10.1
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.14.1
numpy: 1.26.4
OpenMM: 8.4.0
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
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
pynmrstar: 3.3.6
pynrrd: 1.0.0
PyOpenGL: 3.1.10
PyOpenGL-accelerate: 3.1.10
pyopenxr: 1.1.4501
pyparsing: 3.3.2
pyproject_hooks: 1.2.0
PyQt6: 6.10.2
PyQt6-Qt6: 6.10.1
PyQt6-WebEngine: 6.10.0
PyQt6-WebEngine-Qt6: 6.10.1
PyQt6_sip: 13.10.3
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
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: 4.1.0
rpds-py: 0.30.0
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: 2.8.3
Sphinx: 9.0.4
sphinx-autodoc-typehints: 3.6.1
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: 3.2.0
stack-data: 0.6.3
starlette: 0.52.1
superqt: 0.7.6
tables: 3.10.2
tcia_utils: 1.5.1
tifffile: 2025.3.13
tinyarray: 1.2.5
tornado: 6.5.4
traitlets: 5.14.3
typing-inspection: 0.4.2
typing_extensions: 4.15.0
urllib3: 2.6.3
uvicorn: 0.40.0
wcwidth: 0.3.0
webcolors: 24.11.1
wheel: 0.45.1
wheel-filename: 1.4.2
widgetsnbextension: 4.0.15
yarl: 1.22.0
|
|||
| #19766 | can't reproduce | Crash on Mac waking from sleep | ||
| Description |
The following bug report has been submitted:
Platform: macOS-15.7.3-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.
Fatal Python error: Segmentation fault
Current thread 0x00000001f302e240 (most recent call first):
File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/save_command/dialog.py", line 56 in display
File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/save_command/dialog.py", line 144 in show_save_file_dialog
File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/save_command/dialog.py", line 133 in
File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 414 in event_loop
File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1064 in init
File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1229 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.map._map, psutil._psutil_osx, psutil._psutil_posix, chimerax.surface._surface, PIL._imaging, chimerax.pdb_lib._load_libs, 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, 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, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw, PIL._imagingmath (total: 59)
{"app_name":"ChimeraX","timestamp":"2026-01-22 15:00:20.00 -0700","app_version":"1.11.0","slice_uuid":"c20e09a8-923e-3fb3-856b-3e765bcb267b","build_version":"1.11.0.0","platform":1,"bundleID":"edu.ucsf.cgl.ChimeraX","share_with_app_devs":1,"is_first_party":0,"bug_type":"309","os_version":"macOS 15.7.3 (24G419)","roots_installed":0,"name":"ChimeraX","incident_id":"D791C58D-7C12-4EB0-86D7-89035CF319DB"}
{
"uptime" : 15000,
"procRole" : "Foreground",
"version" : 2,
"userID" : 501,
"deployVersion" : 210,
"modelCode" : "Mac14,2",
"coalitionID" : 1786,
"osVersion" : {
"train" : "macOS 15.7.3",
"build" : "24G419",
"releaseType" : "User"
},
"captureTime" : "2026-01-22 14:59:53.7998 -0700",
"codeSigningMonitor" : 1,
"incident" : "D791C58D-7C12-4EB0-86D7-89035CF319DB",
"pid" : 1730,
"translated" : false,
"cpuType" : "ARM-64",
"roots_installed" : 0,
"bug_type" : "309",
"procLaunch" : "2026-01-22 08:38:53.9338 -0700",
"procStartAbsTime" : 71645756683,
"procExitAbsTime" : 368638451064,
"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":"19B1409A-0647-5024-A742-D289F8442506","thirdParty":true},
"parentProc" : "launchd",
"parentPid" : 1,
"coalitionName" : "edu.ucsf.cgl.ChimeraX",
"crashReporterKey" : "090AF90A-6E34-ECA0-0A97-F46B46199692",
"appleIntelligenceStatus" : {"state":"available"},
"codeSigningID" : "edu.ucsf.cgl.ChimeraX",
"codeSigningTeamID" : "LWV8X224YF",
"codeSigningFlags" : 570491649,
"codeSigningValidationCategory" : 6,
"codeSigningTrustLevel" : 4294967295,
"codeSigningAuxiliaryInfo" : 0,
"instructionByteStream" : {"beforePC":"fyMD1f17v6n9AwCRm+D\/l78DAJH9e8Go\/w9f1sADX9YQKYDSARAA1A==","atPC":"AwEAVH8jA9X9e7+p\/QMAkZDg\/5e\/AwCR\/XvBqP8PX9bAA1\/WcAqA0g=="},
"bootSessionUUID" : "293E2FCA-03B0-484B-8504-7236A1A6807C",
"wakeTime" : 340,
"sleepWakeUUID" : "395E8EE9-D364-4624-8911-5BD18B17C215",
"sip" : "enabled",
"vmRegionInfo" : "0x18 is not in any region. Bytes before following region: 4369727464
REGION TYPE START - END [ VSIZE] PRT\/MAX SHRMOD REGION DETAIL
UNUSED SPACE AT START
--->
__TEXT 10474c000-104750000 [ 16K] r-x\/r-x SM=COW \/Applications\/ChimeraX-1.11.app\/Contents\/MacOS\/ChimeraX",
"exception" : {"codes":"0x0000000000000001, 0x0000000000000018","rawCodes":[1,24],"type":"EXC_BAD_ACCESS","signal":"SIGSEGV","subtype":"KERN_INVALID_ADDRESS at 0x0000000000000018"},
"termination" : {"flags":0,"code":11,"namespace":"SIGNAL","indicator":"Segmentation fault: 11","byProc":"ChimeraX","byPid":1730},
"vmregioninfo" : "0x18 is not in any region. Bytes before following region: 4369727464
REGION TYPE START - END [ VSIZE] PRT\/MAX SHRMOD REGION DETAIL
UNUSED SPACE AT START
--->
__TEXT 10474c000-104750000 [ 16K] r-x\/r-x SM=COW \/Applications\/ChimeraX-1.11.app\/Contents\/MacOS\/ChimeraX",
"extMods" : {"caller":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"system":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"targeted":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"warnings":0},
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===== Log before crash start =====
UCSF ChimeraX version: 1.11 (2025-12-17)
© 2016-2025 Regents of the University of California. All rights reserved.
> open /Users/shamiul/projects/fks1/apo_drug_sac_model44.cxs
Opened cryosparc_P1078_J1017_002_volume_map_sharp.mrc as #1, grid size
256,256,256, pixel 1.3, shown at level 0.495, step 1, values float32
Opened cryosparc_P23_J469_003_volume_map_sharp.mrc as #3, grid size
512,512,512, pixel 0.734, shown at level 0.0298, step 2, values float32
Opened emdb 33154 as #4, grid size 224,224,224, pixel 0.92, shown at level
0.00808, step 1, values float32
Log from Tue Jan 20 09:48:17 2026UCSF 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/shamiul/Downloads/cryosparc_P1078_J1017_002_volume_map_sharp.mrc
Opened cryosparc_P1078_J1017_002_volume_map_sharp.mrc as #1, grid size
256,256,256, pixel 1.3, shown at level 0.239, step 1, values float32
> open "/Users/shamiul/projects/fks1/Model
> Building/Coot/round19_real_space_refined_001-coot-44.pdb"
Summary of feedback from opening /Users/shamiul/projects/fks1/Model
Building/Coot/round19_real_space_refined_001-coot-44.pdb
---
warnings | Start residue of secondary structure not found: HELIX 9 9 ALA A 236 LYS A 242 1 7
Start residue of secondary structure not found: HELIX 10 10 LYS A 244 MET A
247 1 4
Start residue of secondary structure not found: HELIX 11 11 ALA A 255 ASP A
257 1 3
Start residue of secondary structure not found: HELIX 12 12 ILE A 258 ASN A
260 1 3
End residue of secondary structure not found: HELIX 64 64 ASN A 788 THR A 792
1 5
End residue of secondary structure not found: HELIX 69 69 PRO A 867 GLU A 888
1 22
Start residue of secondary structure not found: HELIX 70 70 ALA A 900 ASP A
906 1 7
Start residue of secondary structure not found: HELIX 71 71 PHE A 910 ILE A
913 1 4
Start residue of secondary structure not found: HELIX 96 96 PHE A 1239 ILE A
1242 1 4
Start residue of secondary structure not found: HELIX 97 97 LEU A 1243 PHE A
1245 1 3
Start residue of secondary structure not found: HELIX 98 98 THR A 1246 GLN A
1256 1 11
End residue of secondary structure not found: HELIX 108 108 SER A 1385 ASP A
1403 1 19
Chain information for round19_real_space_refined_001-coot-44.pdb #2
---
Chain | Description
A | No description available
> volume #1 level 0.5677
> select add #2
26286 atoms, 26649 bonds, 8 pseudobonds, 1636 residues, 2 models selected
> ui mousemode right "translate selected models"
> view matrix models #2,1,0,0,-40.366,0,1,0,75.715,0,0,1,45.059
> ui mousemode right "rotate selected models"
> view matrix models
> #2,-0.23585,-0.8656,-0.44171,370.28,0.9416,-0.091141,-0.32417,159.44,0.24034,-0.49237,0.83655,114.88
> view matrix models
> #2,-0.87113,-0.1611,-0.46386,357.53,0.42268,-0.72682,-0.54136,382.19,-0.24993,-0.66766,0.70126,243.46
> view matrix models
> #2,-0.7965,0.49136,0.35236,106.84,-0.5959,-0.73666,-0.31974,510.13,0.10246,-0.46464,0.87955,125.29
> ui mousemode right translate
> ui mousemode right "translate selected models"
> view matrix models
> #2,-0.7965,0.49136,0.35236,147.44,-0.5959,-0.73666,-0.31974,434.86,0.10246,-0.46464,0.87955,75.24
> view matrix models
> #2,-0.7965,0.49136,0.35236,156.43,-0.5959,-0.73666,-0.31974,440.13,0.10246,-0.46464,0.87955,75.704
> ui tool show "Fit in Map"
> fitmap #2 inMap #1
Fit molecule round19_real_space_refined_001-coot-44.pdb (#2) to map
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) using 26286 atoms
average map value = 0.505, steps = 112
shifted from previous position = 2.31
rotated from previous position = 14.5 degrees
atoms outside contour = 16699, contour level = 0.56771
Position of round19_real_space_refined_001-coot-44.pdb (#2) relative to
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
-0.66534498 0.63156314 0.39805034 104.96048430
-0.71667873 -0.68964915 -0.10370951 419.37917810
0.20901597 -0.35427681 0.91148246 37.72015838
Axis -0.18100709 0.13655637 -0.97395523
Axis point 135.48156726 190.61539580 0.00000000
Rotation angle (degrees) 136.19963585
Shift along axis 1.53255925
> select clear
> volume #1 level 0.4976
> select clear
> molmap #2 16 onGrid #1
Opened round19_real_space_refined_001-coot-44.pdb map 16 as #3, grid size
256,256,256, pixel 1.3, shown at level 0.0587, step 1, values float32
> \
Unknown command: \
> molmap #2 16 onGrid #1
Opened round19_real_space_refined_001-coot-44.pdb map 16 as #3, grid size
256,256,256, pixel 1.3, shown at level 0.0587, step 1, values float32
> volume #3 level 0.1386
> volume #3 level 0.1278
> volume #3 level 0.1516
> save /Users/shamiul/Desktop/protein1072.mrc models #3
> close #3
> open /Users/shamiul/Downloads/cryosparc_P23_J469_003_volume_map_sharp.mrc
Opened cryosparc_P23_J469_003_volume_map_sharp.mrc as #3, grid size
512,512,512, pixel 0.734, shown at level 0.0147, step 2, values float32
> select add #3
2 models selected
> ui mousemode right "rotate selected models"
> volume #3 level 0.04773
> view matrix models
> #3,-0.079636,0.51981,-0.85056,277.07,-0.97778,-0.20673,-0.03479,415.67,-0.19392,0.82889,0.52472,-22.468
> ui mousemode right "translate selected models"
> view matrix models
> #3,-0.079636,0.51981,-0.85056,291.89,-0.97778,-0.20673,-0.03479,408.22,-0.19392,0.82889,0.52472,18.485
> view matrix models
> #3,-0.079636,0.51981,-0.85056,307.4,-0.97778,-0.20673,-0.03479,392.49,-0.19392,0.82889,0.52472,9.5176
> ui mousemode right "rotate selected models"
> view matrix models
> #3,-0.74236,0.66559,-0.076754,248.06,-0.41506,-0.54679,-0.72715,490.4,-0.52595,-0.50796,0.68217,289.63
> view matrix models
> #3,0.99436,0.013795,0.10513,7.5729,-0.1047,-0.029291,0.99407,-12.114,0.016792,-0.99948,-0.027681,423.11
> view matrix models
> #3,0.98972,0.10493,0.097203,-6.9775,-0.085366,-0.11195,0.99004,0.51616,0.11477,-0.98816,-0.10184,417.62
> ui mousemode right "translate selected models"
> view matrix models
> #3,0.98972,0.10493,0.097203,-72.684,-0.085366,-0.11195,0.99004,-8.2105,0.11477,-0.98816,-0.10184,383.63
> view matrix models
> #3,0.98972,0.10493,0.097203,-74.736,-0.085366,-0.11195,0.99004,-5.7417,0.11477,-0.98816,-0.10184,346.72
> view matrix models
> #3,0.98972,0.10493,0.097203,-68.072,-0.085366,-0.11195,0.99004,18.491,0.11477,-0.98816,-0.10184,353.16
> view matrix models
> #3,0.98972,0.10493,0.097203,-64.416,-0.085366,-0.11195,0.99004,14.455,0.11477,-0.98816,-0.10184,346.38
> ui mousemode right "rotate selected models"
> view matrix models
> #3,0.92649,0.020919,0.37573,-93.139,-0.34112,-0.37493,0.86201,137.37,0.15891,-0.92682,-0.34024,374.81
> view matrix models
> #3,0.90761,-0.1023,0.40715,-72.932,-0.40588,-0.46162,0.78878,180.49,0.10725,-0.88116,-0.46049,400.25
> view matrix models
> #3,0.92552,-0.24841,0.28584,-24.494,-0.37746,-0.54398,0.74941,198.5,-0.030665,-0.80149,-0.59723,438.84
> ui mousemode right "translate selected models"
> view matrix models
> #3,0.92552,-0.24841,0.28584,-19.878,-0.37746,-0.54398,0.74941,201.85,-0.030665,-0.80149,-0.59723,439.42
> view matrix models
> #3,0.92552,-0.24841,0.28584,-23.844,-0.37746,-0.54398,0.74941,197.75,-0.030665,-0.80149,-0.59723,433.55
> fitmap #3 inMap #1
Fit map cryosparc_P23_J469_003_volume_map_sharp.mrc in map
cryosparc_P1078_J1017_002_volume_map_sharp.mrc using 20242 points
correlation = 0.8993, correlation about mean = 0.6277, overlap = 1661
steps = 188, shift = 6.85, angle = 20.8 degrees
Position of cryosparc_P23_J469_003_volume_map_sharp.mrc (#3) relative to
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
0.99518294 0.04427809 0.08746640 -46.83296081
-0.04864464 -0.55158245 0.83270073 121.26914196
0.08511534 -0.83294433 -0.54677156 406.40704997
Axis -0.99844649 0.00140931 -0.05570117
Axis point 0.00000000 170.37616190 171.87178256
Rotation angle (degrees) 123.47585517
Shift along axis 24.29376271
> select clear
> volume #3 level 0.04242
> volume #1 level 0.5381
> hide #!2 models
> show #!2 models
> hide #!3 models
> color #1 #b2b2b259 models
> set bgColor white
> color #1 #b2b2b285 models
> color #1 #b2b2b2b1 models
> volume #1 level 0.4841
> volume #1 level 0.4706
> show #!3 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!1 models
> volume #3 level 0.03357
> hide #!2 models
> volume #3 level 0.03003
[Repeated 1 time(s)]
> surface dust #3 size 7.34
> volume #3 level 0.02472
> show #!2 models
> hide #!2 models
> show #!2 models
> volume #3 level 0.02915
> hide #!2 models
> hide #!3 models
> show #!3 models
> show #!2 models
> show #!1 models
> hide #!2 models
> surface dust #1 size 13
> surface dust #3 size 7.34
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> volume #3 level 0.03092
> show #!2 models
> hide #!2 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> hide #!1 models
> show #!1 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> volume #3 level 0.0495
> show #!2 models
> hide #!2 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!2 models
> hide #!2 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> hide #!3 models
> show #!3 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> volume #3 level 0.04419
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> volume #1 level 0.4031
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> hide #!2 models
> show #!2 models
> show #!3 models
> hide #!2 models
> show #!2 models
> color #2 black
> color #2 #941100ff
> color #3 #b2b2ff9d models
> color #3 #b2b2ffea models
> color #3 #b2b2ffe2 models
> color #3 #b2b2ffdc models
> color #3 #b2b2ffdb models
> volume #3 level 0.03799
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!2 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!2 models
> hide #!1 models
> show #!1 models
> hide #!2 models
> show #!2 models
> hide #!1 models
> hide #!2 models
> show #!2 models
> show #!3 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> volume #1 level 0.4638
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!2 models
> hide #!1 models
> hide #!2 models
> show #!2 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> hide #!2 models
> show #!1 models
> show #!3 models
> volume #3 level 0.02915
> hide #!1 models
> volume #3 level 0.02472
> volume #3 level 0.03534
> show #!1 models
> volume #3 level 0.04242
> volume #1 level 0.4706
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> volume #1 level 0.4368
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> volume #3 level 0.03711
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> volume #3 level 0.03357
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> volume #3 level 0.04507
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> hide #!3 models
> show #!2 models
> color #2 forest green
> select #2:1344
24 atoms, 23 bonds, 1 residue, 1 model selected
> color sel red
> show #!1 models
> show #!3 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> hide #!1 models
> show #!1 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!2 models
> show #!2 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> hide #!3 models
> show #!3 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> select /A:625
20 atoms, 20 bonds, 1 residue, 1 model selected
> select /A:624
21 atoms, 21 bonds, 1 residue, 1 model selected
> select /A:625
20 atoms, 20 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel red
> select /A:624
21 atoms, 21 bonds, 1 residue, 1 model selected
> color sel red
> show sel atoms
> show #!1 models
> hide #!2 models
> show #!2 models
> hide #!1 models
> show #!1 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> hide #!1 models
> select /A:623
21 atoms, 21 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel red
> show #!1 models
> show #!3 models
> hide #!1 models
> hide #!3 models
> show #!1 models
> hide #!1 models
> show #!3 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> show #!2 models
> hide #!1 models
> hide #!3 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> select /A:629
11 atoms, 10 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel red
> show #!1 models
> hide #!1 models
> select /A:1344
24 atoms, 23 bonds, 1 residue, 1 model selected
> show sel atoms
> show #!1 models
> show #!3 models
> hide #!2 models
> show #!2 models
> hide #!1 models
> volume #3 level 0.05392
> volume #3 level 0.0495
> select /A:628
19 atoms, 18 bonds, 1 residue, 1 model selected
> show sel atoms
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> volume #1 level 0.4031
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> volume #3 level 0.04065
> volume #3 level 0.0318
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> hide #!2 models
> show #!2 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> select /A:604
24 atoms, 23 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel red
> show #!1 models
> hide #!1 models
> select /A:231
22 atoms, 21 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel red
> show #!1 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> volume #3 level 0.04861
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> volume #1 level 0.4571
> hide #!1 models
> select /A:603
12 atoms, 11 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel red
> show #!1 models
> hide #!1 models
> select /A:605
24 atoms, 25 bonds, 1 residue, 1 model selected
> show sel atoms
> show #!1 models
> select clear
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> show #!2 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> hide #!1 models
> show #!3 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> hide #!3 models
> show #!1 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> volume #1 level 0.5381
> volume #1 level 0.7948
> volume #1 level 0.4436
> volume #1 level 0.4706
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> volume #1 level 0.8353
> volume #1 level 0.4706
> hide #!1 models
> show #!1 models
> show #!3 models
> hide #!1 models
> volume #3 level 0.03357
> show #!1 models
> hide #!2 models
> show #!2 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> hide #!3 models
> show #!3 models
> show #!1 models
> hide #!1 models
> hide #!3 models
> show #!1 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> volume #3 level 0.02826
> volume #3 level 0.03357
> volume #3 level 0.04065
> show #!1 models
> volume #1 level 0.3828
> hide #!1 models
> volume #3 level 0.03622
> volume #3 level 0.03357
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> volume #1 level 0.4301
> volume #1 level 0.4503
> volume #1 level 0.4436
> show #!3 models
> volume #3 level 0.05127
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> volume #3 level 0.04596
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> volume #1 level 0.4031
> hide #!1 models
> show #!1 models
> hide #!3 models
> hide #!1 models
> show #!3 models
> open 33154 fromDatabase emdb_fits format ccp4
Summary of feedback from opening 33154 fetched from emdb_fits
---
notes | Fetching compressed map 33154 from https://files.wwpdb.org/pub/emdb/structures/EMD-33154/map/emd_33154.map.gz
Fetching map header 33154 from
https://files.wwpdb.org/pub/emdb/structures/EMD-33154/header/emd-33154.xml
Fetching compressed mmCIF 7xe4 from http://files.rcsb.org/download/7xe4.cif
Fetching CCD C14 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/4/C14/C14.cif
Fetching CCD D10 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/0/D10/D10.cif
Fetching CCD D12 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/2/D12/D12.cif
Fetching CCD DD9 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/9/DD9/DD9.cif
Fetching CCD HP6 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/6/HP6/HP6.cif
Fetching CCD NAG from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/G/NAG/NAG.cif
Fetching CCD XKP from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/P/XKP/XKP.cif
Opened emdb 33154 as #4, grid size 224,224,224, pixel 0.92, shown at level
0.01, step 1, values float32, fit PDB 7xe4
7xe4 title:
structure of a membrane-bound glycosyltransferase [more info...]
Chain information for 7xe4 #5
---
Chain | Description | UniProt
F | 1,3-beta-glucan synthase component FKS1 | FKS1_YEAST 1-1876
Non-standard residues in 7xe4 #5
---
C14 — tetradecane
D10 — decane
D12 — dodecane
DD9 — nonane
HP6 — heptane
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)
XKP —
(11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl
decanoate
> select add #5
12529 atoms, 12835 bonds, 10 pseudobonds, 1530 residues, 3 models selected
> select add #4
12529 atoms, 12835 bonds, 10 pseudobonds, 1530 residues, 5 models selected
> ui mousemode right "rotate selected models"
> view matrix models
> #4,-0.86725,0.45253,-0.2076,173.55,-0.088087,0.27094,0.95856,-21.349,0.49002,0.8496,-0.19511,-7.4292,#5,-0.86725,0.45253,-0.2076,173.55,-0.088087,0.27094,0.95856,-21.349,0.49002,0.8496,-0.19511,-7.4292
> ui mousemode right "rotate selected models"
> view matrix models
> #4,-0.71393,0.63567,-0.29366,148.63,-0.01025,0.40985,0.91209,-38.223,0.70015,0.65418,-0.28609,-0.53684,#5,-0.71393,0.63567,-0.29366,148.63,-0.01025,0.40985,0.91209,-38.223,0.70015,0.65418,-0.28609,-0.53684
> ui mousemode right "translate selected models"
> view matrix models
> #4,-0.71393,0.63567,-0.29366,196.82,-0.01025,0.40985,0.91209,41.09,0.70015,0.65418,-0.28609,59.182,#5,-0.71393,0.63567,-0.29366,196.82,-0.01025,0.40985,0.91209,41.09,0.70015,0.65418,-0.28609,59.182
> ui mousemode right "rotate selected models"
> view matrix models
> #4,-0.86827,0.12771,-0.47937,282.81,-0.36197,0.49769,0.78821,82.573,0.33925,0.8579,-0.3859,87.659,#5,-0.86827,0.12771,-0.47937,282.81,-0.36197,0.49769,0.78821,82.573,0.33925,0.8579,-0.3859,87.659
> ui mousemode right "translate selected models"
> view matrix models
> #4,-0.86827,0.12771,-0.47937,285.04,-0.36197,0.49769,0.78821,76.609,0.33925,0.8579,-0.3859,84.03,#5,-0.86827,0.12771,-0.47937,285.04,-0.36197,0.49769,0.78821,76.609,0.33925,0.8579,-0.3859,84.03
> ui mousemode right "rotate selected models"
> view matrix models
> #4,-0.82789,0.45334,-0.33028,232.85,-0.02596,0.55725,0.82994,31.043,0.56029,0.69567,-0.44957,83.596,#5,-0.82789,0.45334,-0.33028,232.85,-0.02596,0.55725,0.82994,31.043,0.56029,0.69567,-0.44957,83.596
> fitmap #4 inMap #1
Fit map emdb 33154 in map cryosparc_P1078_J1017_002_volume_map_sharp.mrc using
104898 points
correlation = 0.8147, correlation about mean = 0.471, overlap = 1137
steps = 108, shift = 4.72, angle = 10.5 degrees
Position of emdb 33154 (#4) relative to
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
-0.77559150 0.44110259 -0.45153775 245.46031073
-0.19104122 0.51774969 0.83392956 51.53255230
0.60163202 0.73305099 -0.31729348 58.39718054
Axis -0.08185163 -0.85452901 -0.51291372
Axis point 118.21635546 0.00000000 61.69084670
Rotation angle (degrees) 141.95878126
Shift along axis -94.08010205
> fitmap #5 inMap #1
Fit molecule 7xe4 (#5) to map cryosparc_P1078_J1017_002_volume_map_sharp.mrc
(#1) using 12529 atoms
average map value = 0.5176, steps = 108
shifted from previous position = 4.28
rotated from previous position = 10.4 degrees
atoms outside contour = 5925, contour level = 0.40307
Position of 7xe4 (#5) relative to
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
-0.77580956 0.44096383 -0.45129860 245.45501288
-0.19028465 0.51843695 0.83367553 51.42373913
0.60159063 0.73264864 -0.31829969 58.48259859
Axis -0.08201767 -0.85477760 -0.51247278
Axis point 118.18885277 0.00000000 61.73225462
Rotation angle (degrees) 141.98375373
Shift along axis -94.05824869
> volume #4 level 0.01035
> surface dust #4 size 9.2
> volume #4 level 0.008252
> volume #4 level 0.009126
> select clear
> hide #!2 models
> hide #!5 models
> show #!1 models
> hide #!1 models
> show #!2 models
> hide #!4 models
> show #!4 models
> hide #!4 models
> show #!4 models
> volume #4 level 0.007727
> show #!5 models
> hide #!3 models
> color #4 #ffb2ff7f models
> color #4 #ffb2ffa2 models
> color #4 #ffb2ffd0 models
> color #4 #ffb2ffd1 models
> hide #!2 models
> hide #!4 models
> show #!4 models
> hide #!4 models
> show #!4 models
> hide #!4 models
> show #!4 models
> color #5 #941100ff
> color #4 #ffb2ffaa models
> color #4 #ffb2ffab models
> hide #!4 models
> show #!4 models
> hide #!4 models
> show #!4 models
> hide #!5 models
> show #!5 models
> hide #!5 models
> volume #4 level 0.00965
> volume #4 level 0.006328
> volume #4 level 0.009126
> show #!1 models
> hide #!1 models
> show #!3 models
> volume #3 level 0.0285
> volume #4 level 0.009126
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!2 models
> show #!1 models
> hide #!1 models
> show #!3 models
> hide #!4 models
> show #!5 models
> hide #!5 models
> show #!5 models
> hide #!5 models
> show #!5 models
> show #!4 models
> hide #!5 models
> hide #!3 models
> hide #!4 models
> show #!5 models
> color #5 #0433ffff
> select #5/F:1357
11 atoms, 10 bonds, 1 residue, 1 model selected
> select #5/F:639
11 atoms, 11 bonds, 1 residue, 1 model selected
> show sel atoms
> show #!4 models
> hide #!4 models
> show #!1 models
> hide #!1 models
> select #5/F:619
14 atoms, 15 bonds, 1 residue, 1 model selected
> select #5/F:617
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #5/F:618
11 atoms, 10 bonds, 1 residue, 1 model selected
> show sel atoms
> show #!1 models
> hide #!1 models
> show #!4 models
> volume #4 level 0.008601
> fitmap #5 inMap #4
Fit molecule 7xe4 (#5) to map emdb 33154 (#4) using 12529 atoms
average map value = 0.0173, steps = 56
shifted from previous position = 0.0796
rotated from previous position = 0.0627 degrees
atoms outside contour = 2448, contour level = 0.0086013
Position of 7xe4 (#5) relative to emdb 33154 (#4) coordinates:
Matrix rotation and translation
1.00000000 0.00005862 0.00004014 -0.00661266
-0.00005862 1.00000000 -0.00007132 0.02208420
-0.00004015 0.00007131 1.00000000 -0.00293560
Axis 0.70843877 0.39881019 -0.58229283
Axis point 0.00000000 -6.44294241 277.04962384
Rotation angle (degrees) 0.00576774
Shift along axis 0.00583212
> volume #4 level 0.008601
> show #!3 models
> hide #!4 models
> hide #!5 models
> show #!5 models
> hide #!5 models
> show #!4 models
> hide #!3 models
> hide #!4 models
> show #!4 models
> hide #!4 models
> show #!3 models
> hide #!3 models
> show #!1 models
> hide #!2 models
> show #!4 models
> volume #1 level 0.4236
> volume #4 level 0.009126
> volume #1 level 0.4133
> show #!2 models
> hide #!2 models
> hide #!4 models
> hide #!1 models
> show #!1 models
> show #!4 models
> hide #!4 models
> show #!4 models
> hide #!1 models
> show #!2 models
> hide #!2 models
> volume #4 level 0.008077
> show #!2 models
> hide #!2 models
> show #!5 models
> hide #!5 models
> hide #!4 models
> show #!4 models
> show #!1 models
> hide #!4 models
> hide #!1 models
> show #!3 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> volume #1 level 0.4031
> volume #1 level 0.4133
> volume #1 level 0.4031
> surface dust #1 size 13
> ui tool show "Hide Dust"
> surface dust #1 size 1.3
> surface undust #1
> volume #1 level 0.4338
> volume #1 level 0.5363
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> show #!2 models
> hide #!2 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!2 models
> select #2:1248
Nothing selected
> select #2:1209
12 atoms, 11 bonds, 1 residue, 1 model selected
> hide #!3 models
> show sel atoms
> color sel orange red
> show #!4 models
> hide #!4 models
> show #!1 models
> volume #1 level 0.3826
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!2 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> volume #3 level 0.02985
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> volume #1 level 0.4338
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
Desktop color scheme is light
> view matrix models
> #2,-0.66534,0.63156,0.39805,104.96,-0.71668,-0.68965,-0.10371,419.38,0.20902,-0.35428,0.91148,37.72
[Repeated 2 time(s)]
> show #!1 models
> volume #1 level 0.4953
> show #!4 models
> show #!2 models
> hide #!4 models
> hide #!1 models
> show #!1 models
> save /Users/shamiul/projects/fks1/apo_drug_sac_model44.cxs includeMaps true
——— End of log from Tue Jan 20 09:48:17 2026 ———
> view name session-start
opened ChimeraX session
> open /Users/shamiul/Downloads/cryosparc_P1078_J1041_002_volume_map_sharp.mrc
Opened cryosparc_P1078_J1041_002_volume_map_sharp.mrc as #6, grid size
256,256,256, pixel 1.3, shown at level 0.232, step 1, values float32
> volume #6 level 0.5479
> close #1
> hide #!2 models
> show #!2 models
> hide #!6 models
> show #!6 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> volume #6 level 0.4522
> surface dust #6 size 13
> volume #6 level 0.3949
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> color #6 #b2b2b2e6 models
> color #6 #b2b2b2d8 models
> show #!4 models
> hide #!4 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> volume #3 level 0.0285
> volume #3 level 0.03387
> volume #3 level 0.03924
> volume #3 level 0.05536
> hide #!2 models
> volume #3 level 0.0379
> select #2: 625-633, 676-686, 1341-1344
440 atoms, 445 bonds, 24 residues, 1 model selected
> show #!2 models
> select #2: 625-633, 676-686, 1341-1344 col yellow target C
Expected a keyword
> select #2: 625-633, 676-686, 1341-1344 col yellow target c
Expected a keyword
> color sel light sea green
> color sel hot pink
> color #3 #b2b2ffc2 models
> select #3
2 models selected
> select #2: 625-633, 676-686, 1341-1344 col yellow target c
Expected a keyword
> select #2: 625-633, 676-686, 1341-1344
440 atoms, 445 bonds, 24 residues, 1 model selected
> color sel red
> show #!6 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!3 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> volume #6 level 0.4235
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!6 models
> volume #3 level 0.02985
> hide #!3 models
> show #!6 models
> volume #6 level 0.3949
> show #!3 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> volume #3 level 0.02716
> surface dust #3 size 7.34
> volume #3 level 0.0285
> volume #3 level 0.03119
> show #!6 models
> volume #6 level 0.3757
> volume #6 level 0.4044
> volume #3 level 0.03656
> volume #6 level 0.4235
> volume #3 level 0.04864
> volume #6 level 0.5192
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> volume #6 level 0.4427
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> volume #3 level 0.04327
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> show #!2 models
> select clear
> volume #6 level 0.4427
> volume #3 level 0.02582
> volume #6 level 0.3757
> open /Users/shamiul/Downloads/cryosparc_P1078_J1017_002_volume_map_sharp.mrc
Opened cryosparc_P1078_J1017_002_volume_map_sharp.mrc as #1, grid size
256,256,256, pixel 1.3, shown at level 0.239, step 1, values float32
> volume #1 level 0.5467
> hide #!6 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> volume #3 level 0.04059
> volume #3 level 0.02447
> volume #3 level 0.02985
> volume #3 level 0.02447
> volume #3 level 0.02716
> show #!6 models
> volume #6 level 0.3949
> hide #!2 models
> show #!1 models
> hide #!1 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> volume #1 level 0.4471
> surface dust #1 size 13
> volume #1 level 0.3775
> hide #!1 models
> show #!1 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!6 models
> show #!2 models
> hide #!2 models
> hide #!6 models
> show #!6 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> hide #!6 models
> show #!6 models
> volume #6 level 0.4413
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> volume #3 level 0.0389
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!4 models
> volume #6 level 0.4041
> hide #!3 models
> show #!3 models
> volume #6 level 0.3949
> show #!2 models
> hide #!2 models
> open /Users/shamiul/projects/fks1/round18_aligntocaspo-coot-8.pdb
Chain information for round18_aligntocaspo-coot-8.pdb #7
---
Chain | Description
A | No description available
> matchmaker #7 to #2
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker round19_real_space_refined_001-coot-44.pdb, chain A (#2) with
round18_aligntocaspo-coot-8.pdb, chain A (#7), sequence alignment score =
6930.2
RMSD between 1423 pruned atom pairs is 0.575 angstroms; (across all 1636
pairs: 4.230)
> molmap #7 16 onGrid 6
Invalid "onGrid" argument: invalid density map specifier
> hide #!3 models
> ui tool show "Fit in Map"
> fitmap #7 inMap #6
Fit molecule round18_aligntocaspo-coot-8.pdb (#7) to map
cryosparc_P1078_J1041_002_volume_map_sharp.mrc (#6) using 28257 atoms
average map value = 0.4365, steps = 60
shifted from previous position = 0.0995
rotated from previous position = 0.292 degrees
atoms outside contour = 15905, contour level = 0.39486
Position of round18_aligntocaspo-coot-8.pdb (#7) relative to
cryosparc_P1078_J1041_002_volume_map_sharp.mrc (#6) coordinates:
Matrix rotation and translation
-0.99974929 -0.01555337 -0.01610747 359.00321150
-0.02111031 0.41492603 0.90961021 -79.40764228
-0.00746409 0.90972220 -0.41515034 70.51887473
Axis 0.01089752 -0.84110706 -0.54075887
Axis point 178.85260398 0.00000000 61.33327506
Rotation angle (degrees) 179.70560747
Shift along axis 32.56886537
> molmap #7 16 onGrid #6
Opened round18_aligntocaspo-coot-8.pdb map 16 as #8, grid size 256,256,256,
pixel 1.3, shown at level 0.0593, step 1, values float32
> hide #7 models
> show #7 models
> hide #!6 models
> volume #8 level 0.06604
> save /Users/shamiul/Desktop/protein1041.mrc models #8
> volume #8 level 0.1571
> hide #7 models
> show #!6 models
> volume #8 level 0.1651
> hide #!8 models
> volume #6 level 0.3949
> show #!8 models
> volume #8 level 0.151
> open /Users/shamiul/Downloads/cryosparc_P1078_J1048_003_volume_map_sharp.mrc
Opened cryosparc_P1078_J1048_003_volume_map_sharp.mrc as #9, grid size
256,256,256, pixel 1.3, shown at level 0.236, step 1, values float32
> hide #!6 models
> show #!6 models
> hide #!8 models
> volume #9 level 0.5183
> hide #!6 models
> surface dust #9 size 13
> volume #9 level 0.3995
> show #!3 models
> hide #!3 models
> volume #9 level 0.4143
> show #!3 models
> hide #!3 models
> volume #9 level 0.3921
> color #9 silver models
> close #6
> volume #9 level 0.3728
> volume #9 level 0.4017
> show #!3 models
> hide #!9 models
> show #!9 models
> hide #!9 models
> show #!9 models
> fitmap #9 inMap #3
Fit map cryosparc_P1078_J1048_003_volume_map_sharp.mrc in map
cryosparc_P23_J469_003_volume_map_sharp.mrc using 52265 points
correlation = 0.8411, correlation about mean = 0.7355, overlap = 2719
steps = 64, shift = 0.137, angle = 0.284 degrees
Position of cryosparc_P1078_J1048_003_volume_map_sharp.mrc (#9) relative to
cryosparc_P23_J469_003_volume_map_sharp.mrc (#3) coordinates:
Matrix rotation and translation
0.99562998 -0.04508186 0.08178364 17.79528418
0.04351058 -0.55095466 -0.83340013 407.68451908
0.08263030 0.83331661 -0.54658544 125.90881048
Axis 0.99859019 -0.00050727 0.05307893
Axis point 0.00000000 170.27130670 172.32267538
Rotation angle (degrees) 123.43255903
Shift along axis 24.24649662
> hide #!9 models
> show #!9 models
> hide #!9 models
> show #!9 models
> hide #!9 models
> show #!9 models
> hide #!9 models
> show #!9 models
> hide #!9 models
> show #!9 models
> hide #!9 models
> show #!9 models
> volume #3 level 0.02904
> hide #!9 models
> show #!9 models
> hide #!9 models
> hide #!3 models
> show #!3 models
> show #!4 models
> hide #!4 models
> show #!4 models
> hide #!4 models
> show #!4 models
> volume #4 level 0.00936
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> fitmap #4 inMap #3
Fit map emdb 33154 in map cryosparc_P23_J469_003_volume_map_sharp.mrc using
116253 points
correlation = 0.5847, correlation about mean = 0.3523, overlap = 99
steps = 72, shift = 0.181, angle = 0.177 degrees
Position of emdb 33154 (#4) relative to
cryosparc_P23_J469_003_volume_map_sharp.mrc (#3) coordinates:
Matrix rotation and translation
-0.71048798 0.47703780 -0.51734105 264.67558202
-0.43239360 -0.87595053 -0.21388416 341.14525553
-0.55519599 0.07173283 0.82862042 157.39209429
Axis 0.29939554 0.03968112 -0.95330358
Axis point 202.77925698 136.32398446 -0.00000000
Rotation angle (degrees) 151.51104117
Shift along axis -57.26273245
> show #!3 models
> hide #!4 models
> show #!4 models
> hide #!4 models
> show #!9 models
> hide #!9 models
> show #!9 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> show #!1 models
> hide #!1 models
> volume #9 level 0.4111
> hide #!9 models
> show #!9 models
> hide #!9 models
> show #!9 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!9 models
> show #!9 models
> hide #!9 models
> show #!9 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!9 models
> show #!9 models
> hide #!9 models
> show #!9 models
> hide #!9 models
> volume #3 level 0.02644
> show #!9 models
> volume #9 level 0.4111
> hide #!3 models
> show #!3 models
> hide #!9 models
> volume #3 level 0.02644
> show #!2 models
> show #!9 models
> hide #!9 models
> show #!9 models
> hide #!3 models
> fitmap #2 inMap #9
Fit molecule round19_real_space_refined_001-coot-44.pdb (#2) to map
cryosparc_P1078_J1048_003_volume_map_sharp.mrc (#9) using 26286 atoms
average map value = 0.4951, steps = 28
shifted from previous position = 0.0281
rotated from previous position = 0.0329 degrees
atoms outside contour = 13242, contour level = 0.41108
Position of round19_real_space_refined_001-coot-44.pdb (#2) relative to
cryosparc_P1078_J1048_003_volume_map_sharp.mrc (#9) coordinates:
Matrix rotation and translation
-0.66233458 0.63252332 0.40153103 103.73969491
-0.71883862 -0.68755706 -0.10264664 419.32753451
0.21114910 -0.35662243 0.91007500 38.03008402
Axis -0.18296144 0.13714910 -0.97350667
Axis point 135.16573018 190.78373405 0.00000000
Rotation angle (degrees) 136.04691145
Shift along axis 1.50749046
> color #9 #c0c0c0ce models
> color #9 #c0c0c0cf models
> show #!3 models
> hide #!9 models
> show #!9 models
> hide #!9 models
> show #!9 models
> volume #3 level 0.02644
> hide #!9 models
> volume #3 level 0.03109
> volume #3 level 0.04132
> show #!9 models
> hide #!9 models
> show #!9 models
> volume #9 level 0.4378
> hide #!9 models
> volume #3 level 0.03202
> volume #3 level 0.03109
> volume #3 level 0.02644
> volume #3 level 0.04039
> volume #3 level 0.02458
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> volume #3 level 0.02551
> volume #3 level 0.02644
> hide #!2 models
> show #!2 models
> hide #!3 models
> show #!3 models
> volume #3 level 0.03481
> hide #!2 models
> hide #!3 models
> show #!3 models
QPainter::begin: Paint device returned engine == 0, type: 2
===== Log before crash end =====
Log:
UCSF ChimeraX version: 1.11 (2025-12-17)
© 2016-2025 Regents of the University of California. All rights reserved.
> open /Users/shamiul/projects/fks1/apo_drug_sac_model44.cxs
Opened cryosparc_P1078_J1017_002_volume_map_sharp.mrc as #1, grid size
256,256,256, pixel 1.3, shown at level 0.495, step 1, values float32
Opened cryosparc_P23_J469_003_volume_map_sharp.mrc as #3, grid size
512,512,512, pixel 0.734, shown at level 0.0298, step 2, values float32
Opened emdb 33154 as #4, grid size 224,224,224, pixel 0.92, shown at level
0.00808, step 1, values float32
Log from Tue Jan 20 09:48:17 2026UCSF 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/shamiul/Downloads/cryosparc_P1078_J1017_002_volume_map_sharp.mrc
Opened cryosparc_P1078_J1017_002_volume_map_sharp.mrc as #1, grid size
256,256,256, pixel 1.3, shown at level 0.239, step 1, values float32
> open "/Users/shamiul/projects/fks1/Model
> Building/Coot/round19_real_space_refined_001-coot-44.pdb"
Summary of feedback from opening /Users/shamiul/projects/fks1/Model
Building/Coot/round19_real_space_refined_001-coot-44.pdb
---
warnings | Start residue of secondary structure not found: HELIX 9 9 ALA A 236 LYS A 242 1 7
Start residue of secondary structure not found: HELIX 10 10 LYS A 244 MET A
247 1 4
Start residue of secondary structure not found: HELIX 11 11 ALA A 255 ASP A
257 1 3
Start residue of secondary structure not found: HELIX 12 12 ILE A 258 ASN A
260 1 3
End residue of secondary structure not found: HELIX 64 64 ASN A 788 THR A 792
1 5
End residue of secondary structure not found: HELIX 69 69 PRO A 867 GLU A 888
1 22
Start residue of secondary structure not found: HELIX 70 70 ALA A 900 ASP A
906 1 7
Start residue of secondary structure not found: HELIX 71 71 PHE A 910 ILE A
913 1 4
Start residue of secondary structure not found: HELIX 96 96 PHE A 1239 ILE A
1242 1 4
Start residue of secondary structure not found: HELIX 97 97 LEU A 1243 PHE A
1245 1 3
Start residue of secondary structure not found: HELIX 98 98 THR A 1246 GLN A
1256 1 11
End residue of secondary structure not found: HELIX 108 108 SER A 1385 ASP A
1403 1 19
Chain information for round19_real_space_refined_001-coot-44.pdb #2
---
Chain | Description
A | No description available
> volume #1 level 0.5677
> select add #2
26286 atoms, 26649 bonds, 8 pseudobonds, 1636 residues, 2 models selected
> ui mousemode right "translate selected models"
> view matrix models #2,1,0,0,-40.366,0,1,0,75.715,0,0,1,45.059
> ui mousemode right "rotate selected models"
> view matrix models
> #2,-0.23585,-0.8656,-0.44171,370.28,0.9416,-0.091141,-0.32417,159.44,0.24034,-0.49237,0.83655,114.88
> view matrix models
> #2,-0.87113,-0.1611,-0.46386,357.53,0.42268,-0.72682,-0.54136,382.19,-0.24993,-0.66766,0.70126,243.46
> view matrix models
> #2,-0.7965,0.49136,0.35236,106.84,-0.5959,-0.73666,-0.31974,510.13,0.10246,-0.46464,0.87955,125.29
> ui mousemode right translate
> ui mousemode right "translate selected models"
> view matrix models
> #2,-0.7965,0.49136,0.35236,147.44,-0.5959,-0.73666,-0.31974,434.86,0.10246,-0.46464,0.87955,75.24
> view matrix models
> #2,-0.7965,0.49136,0.35236,156.43,-0.5959,-0.73666,-0.31974,440.13,0.10246,-0.46464,0.87955,75.704
> ui tool show "Fit in Map"
> fitmap #2 inMap #1
Fit molecule round19_real_space_refined_001-coot-44.pdb (#2) to map
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) using 26286 atoms
average map value = 0.505, steps = 112
shifted from previous position = 2.31
rotated from previous position = 14.5 degrees
atoms outside contour = 16699, contour level = 0.56771
Position of round19_real_space_refined_001-coot-44.pdb (#2) relative to
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
-0.66534498 0.63156314 0.39805034 104.96048430
-0.71667873 -0.68964915 -0.10370951 419.37917810
0.20901597 -0.35427681 0.91148246 37.72015838
Axis -0.18100709 0.13655637 -0.97395523
Axis point 135.48156726 190.61539580 0.00000000
Rotation angle (degrees) 136.19963585
Shift along axis 1.53255925
> select clear
> volume #1 level 0.4976
> select clear
> molmap #2 16 onGrid #1
Opened round19_real_space_refined_001-coot-44.pdb map 16 as #3, grid size
256,256,256, pixel 1.3, shown at level 0.0587, step 1, values float32
> \
Unknown command: \
> molmap #2 16 onGrid #1
Opened round19_real_space_refined_001-coot-44.pdb map 16 as #3, grid size
256,256,256, pixel 1.3, shown at level 0.0587, step 1, values float32
> volume #3 level 0.1386
> volume #3 level 0.1278
> volume #3 level 0.1516
> save /Users/shamiul/Desktop/protein1072.mrc models #3
> close #3
> open /Users/shamiul/Downloads/cryosparc_P23_J469_003_volume_map_sharp.mrc
Opened cryosparc_P23_J469_003_volume_map_sharp.mrc as #3, grid size
512,512,512, pixel 0.734, shown at level 0.0147, step 2, values float32
> select add #3
2 models selected
> ui mousemode right "rotate selected models"
> volume #3 level 0.04773
> view matrix models
> #3,-0.079636,0.51981,-0.85056,277.07,-0.97778,-0.20673,-0.03479,415.67,-0.19392,0.82889,0.52472,-22.468
> ui mousemode right "translate selected models"
> view matrix models
> #3,-0.079636,0.51981,-0.85056,291.89,-0.97778,-0.20673,-0.03479,408.22,-0.19392,0.82889,0.52472,18.485
> view matrix models
> #3,-0.079636,0.51981,-0.85056,307.4,-0.97778,-0.20673,-0.03479,392.49,-0.19392,0.82889,0.52472,9.5176
> ui mousemode right "rotate selected models"
> view matrix models
> #3,-0.74236,0.66559,-0.076754,248.06,-0.41506,-0.54679,-0.72715,490.4,-0.52595,-0.50796,0.68217,289.63
> view matrix models
> #3,0.99436,0.013795,0.10513,7.5729,-0.1047,-0.029291,0.99407,-12.114,0.016792,-0.99948,-0.027681,423.11
> view matrix models
> #3,0.98972,0.10493,0.097203,-6.9775,-0.085366,-0.11195,0.99004,0.51616,0.11477,-0.98816,-0.10184,417.62
> ui mousemode right "translate selected models"
> view matrix models
> #3,0.98972,0.10493,0.097203,-72.684,-0.085366,-0.11195,0.99004,-8.2105,0.11477,-0.98816,-0.10184,383.63
> view matrix models
> #3,0.98972,0.10493,0.097203,-74.736,-0.085366,-0.11195,0.99004,-5.7417,0.11477,-0.98816,-0.10184,346.72
> view matrix models
> #3,0.98972,0.10493,0.097203,-68.072,-0.085366,-0.11195,0.99004,18.491,0.11477,-0.98816,-0.10184,353.16
> view matrix models
> #3,0.98972,0.10493,0.097203,-64.416,-0.085366,-0.11195,0.99004,14.455,0.11477,-0.98816,-0.10184,346.38
> ui mousemode right "rotate selected models"
> view matrix models
> #3,0.92649,0.020919,0.37573,-93.139,-0.34112,-0.37493,0.86201,137.37,0.15891,-0.92682,-0.34024,374.81
> view matrix models
> #3,0.90761,-0.1023,0.40715,-72.932,-0.40588,-0.46162,0.78878,180.49,0.10725,-0.88116,-0.46049,400.25
> view matrix models
> #3,0.92552,-0.24841,0.28584,-24.494,-0.37746,-0.54398,0.74941,198.5,-0.030665,-0.80149,-0.59723,438.84
> ui mousemode right "translate selected models"
> view matrix models
> #3,0.92552,-0.24841,0.28584,-19.878,-0.37746,-0.54398,0.74941,201.85,-0.030665,-0.80149,-0.59723,439.42
> view matrix models
> #3,0.92552,-0.24841,0.28584,-23.844,-0.37746,-0.54398,0.74941,197.75,-0.030665,-0.80149,-0.59723,433.55
> fitmap #3 inMap #1
Fit map cryosparc_P23_J469_003_volume_map_sharp.mrc in map
cryosparc_P1078_J1017_002_volume_map_sharp.mrc using 20242 points
correlation = 0.8993, correlation about mean = 0.6277, overlap = 1661
steps = 188, shift = 6.85, angle = 20.8 degrees
Position of cryosparc_P23_J469_003_volume_map_sharp.mrc (#3) relative to
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
0.99518294 0.04427809 0.08746640 -46.83296081
-0.04864464 -0.55158245 0.83270073 121.26914196
0.08511534 -0.83294433 -0.54677156 406.40704997
Axis -0.99844649 0.00140931 -0.05570117
Axis point 0.00000000 170.37616190 171.87178256
Rotation angle (degrees) 123.47585517
Shift along axis 24.29376271
> select clear
> volume #3 level 0.04242
> volume #1 level 0.5381
> hide #!2 models
> show #!2 models
> hide #!3 models
> color #1 #b2b2b259 models
> set bgColor white
> color #1 #b2b2b285 models
> color #1 #b2b2b2b1 models
> volume #1 level 0.4841
> volume #1 level 0.4706
> show #!3 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!1 models
> volume #3 level 0.03357
> hide #!2 models
> volume #3 level 0.03003
[Repeated 1 time(s)]
> surface dust #3 size 7.34
> volume #3 level 0.02472
> show #!2 models
> hide #!2 models
> show #!2 models
> volume #3 level 0.02915
> hide #!2 models
> hide #!3 models
> show #!3 models
> show #!2 models
> show #!1 models
> hide #!2 models
> surface dust #1 size 13
> surface dust #3 size 7.34
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> volume #3 level 0.03092
> show #!2 models
> hide #!2 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> hide #!1 models
> show #!1 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> volume #3 level 0.0495
> show #!2 models
> hide #!2 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!2 models
> hide #!2 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> hide #!3 models
> show #!3 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> volume #3 level 0.04419
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> volume #1 level 0.4031
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> hide #!2 models
> show #!2 models
> show #!3 models
> hide #!2 models
> show #!2 models
> color #2 black
> color #2 #941100ff
> color #3 #b2b2ff9d models
> color #3 #b2b2ffea models
> color #3 #b2b2ffe2 models
> color #3 #b2b2ffdc models
> color #3 #b2b2ffdb models
> volume #3 level 0.03799
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!2 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!2 models
> hide #!1 models
> show #!1 models
> hide #!2 models
> show #!2 models
> hide #!1 models
> hide #!2 models
> show #!2 models
> show #!3 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> volume #1 level 0.4638
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!2 models
> hide #!1 models
> hide #!2 models
> show #!2 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> hide #!2 models
> show #!1 models
> show #!3 models
> volume #3 level 0.02915
> hide #!1 models
> volume #3 level 0.02472
> volume #3 level 0.03534
> show #!1 models
> volume #3 level 0.04242
> volume #1 level 0.4706
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> volume #1 level 0.4368
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> volume #3 level 0.03711
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> volume #3 level 0.03357
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> volume #3 level 0.04507
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> hide #!3 models
> show #!2 models
> color #2 forest green
> select #2:1344
24 atoms, 23 bonds, 1 residue, 1 model selected
> color sel red
> show #!1 models
> show #!3 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> hide #!1 models
> show #!1 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!2 models
> show #!2 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> hide #!3 models
> show #!3 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> select /A:625
20 atoms, 20 bonds, 1 residue, 1 model selected
> select /A:624
21 atoms, 21 bonds, 1 residue, 1 model selected
> select /A:625
20 atoms, 20 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel red
> select /A:624
21 atoms, 21 bonds, 1 residue, 1 model selected
> color sel red
> show sel atoms
> show #!1 models
> hide #!2 models
> show #!2 models
> hide #!1 models
> show #!1 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> hide #!1 models
> select /A:623
21 atoms, 21 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel red
> show #!1 models
> show #!3 models
> hide #!1 models
> hide #!3 models
> show #!1 models
> hide #!1 models
> show #!3 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> show #!2 models
> hide #!1 models
> hide #!3 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> select /A:629
11 atoms, 10 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel red
> show #!1 models
> hide #!1 models
> select /A:1344
24 atoms, 23 bonds, 1 residue, 1 model selected
> show sel atoms
> show #!1 models
> show #!3 models
> hide #!2 models
> show #!2 models
> hide #!1 models
> volume #3 level 0.05392
> volume #3 level 0.0495
> select /A:628
19 atoms, 18 bonds, 1 residue, 1 model selected
> show sel atoms
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> volume #1 level 0.4031
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> volume #3 level 0.04065
> volume #3 level 0.0318
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> hide #!2 models
> show #!2 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> select /A:604
24 atoms, 23 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel red
> show #!1 models
> hide #!1 models
> select /A:231
22 atoms, 21 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel red
> show #!1 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> volume #3 level 0.04861
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> volume #1 level 0.4571
> hide #!1 models
> select /A:603
12 atoms, 11 bonds, 1 residue, 1 model selected
> show sel atoms
> color sel red
> show #!1 models
> hide #!1 models
> select /A:605
24 atoms, 25 bonds, 1 residue, 1 model selected
> show sel atoms
> show #!1 models
> select clear
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> show #!2 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> hide #!1 models
> show #!3 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> hide #!3 models
> show #!1 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> volume #1 level 0.5381
> volume #1 level 0.7948
> volume #1 level 0.4436
> volume #1 level 0.4706
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> volume #1 level 0.8353
> volume #1 level 0.4706
> hide #!1 models
> show #!1 models
> show #!3 models
> hide #!1 models
> volume #3 level 0.03357
> show #!1 models
> hide #!2 models
> show #!2 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> hide #!3 models
> show #!3 models
> show #!1 models
> hide #!1 models
> hide #!3 models
> show #!1 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> volume #3 level 0.02826
> volume #3 level 0.03357
> volume #3 level 0.04065
> show #!1 models
> volume #1 level 0.3828
> hide #!1 models
> volume #3 level 0.03622
> volume #3 level 0.03357
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> volume #1 level 0.4301
> volume #1 level 0.4503
> volume #1 level 0.4436
> show #!3 models
> volume #3 level 0.05127
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> volume #3 level 0.04596
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> volume #1 level 0.4031
> hide #!1 models
> show #!1 models
> hide #!3 models
> hide #!1 models
> show #!3 models
> open 33154 fromDatabase emdb_fits format ccp4
Summary of feedback from opening 33154 fetched from emdb_fits
---
notes | Fetching compressed map 33154 from https://files.wwpdb.org/pub/emdb/structures/EMD-33154/map/emd_33154.map.gz
Fetching map header 33154 from
https://files.wwpdb.org/pub/emdb/structures/EMD-33154/header/emd-33154.xml
Fetching compressed mmCIF 7xe4 from http://files.rcsb.org/download/7xe4.cif
Fetching CCD C14 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/4/C14/C14.cif
Fetching CCD D10 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/0/D10/D10.cif
Fetching CCD D12 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/2/D12/D12.cif
Fetching CCD DD9 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/9/DD9/DD9.cif
Fetching CCD HP6 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/6/HP6/HP6.cif
Fetching CCD NAG from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/G/NAG/NAG.cif
Fetching CCD XKP from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/P/XKP/XKP.cif
Opened emdb 33154 as #4, grid size 224,224,224, pixel 0.92, shown at level
0.01, step 1, values float32, fit PDB 7xe4
7xe4 title:
structure of a membrane-bound glycosyltransferase [more info...]
Chain information for 7xe4 #5
---
Chain | Description | UniProt
F | 1,3-beta-glucan synthase component FKS1 | FKS1_YEAST 1-1876
Non-standard residues in 7xe4 #5
---
C14 — tetradecane
D10 — decane
D12 — dodecane
DD9 — nonane
HP6 — heptane
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)
XKP —
(11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl
decanoate
> select add #5
12529 atoms, 12835 bonds, 10 pseudobonds, 1530 residues, 3 models selected
> select add #4
12529 atoms, 12835 bonds, 10 pseudobonds, 1530 residues, 5 models selected
> ui mousemode right "rotate selected models"
> view matrix models
> #4,-0.86725,0.45253,-0.2076,173.55,-0.088087,0.27094,0.95856,-21.349,0.49002,0.8496,-0.19511,-7.4292,#5,-0.86725,0.45253,-0.2076,173.55,-0.088087,0.27094,0.95856,-21.349,0.49002,0.8496,-0.19511,-7.4292
> ui mousemode right "rotate selected models"
> view matrix models
> #4,-0.71393,0.63567,-0.29366,148.63,-0.01025,0.40985,0.91209,-38.223,0.70015,0.65418,-0.28609,-0.53684,#5,-0.71393,0.63567,-0.29366,148.63,-0.01025,0.40985,0.91209,-38.223,0.70015,0.65418,-0.28609,-0.53684
> ui mousemode right "translate selected models"
> view matrix models
> #4,-0.71393,0.63567,-0.29366,196.82,-0.01025,0.40985,0.91209,41.09,0.70015,0.65418,-0.28609,59.182,#5,-0.71393,0.63567,-0.29366,196.82,-0.01025,0.40985,0.91209,41.09,0.70015,0.65418,-0.28609,59.182
> ui mousemode right "rotate selected models"
> view matrix models
> #4,-0.86827,0.12771,-0.47937,282.81,-0.36197,0.49769,0.78821,82.573,0.33925,0.8579,-0.3859,87.659,#5,-0.86827,0.12771,-0.47937,282.81,-0.36197,0.49769,0.78821,82.573,0.33925,0.8579,-0.3859,87.659
> ui mousemode right "translate selected models"
> view matrix models
> #4,-0.86827,0.12771,-0.47937,285.04,-0.36197,0.49769,0.78821,76.609,0.33925,0.8579,-0.3859,84.03,#5,-0.86827,0.12771,-0.47937,285.04,-0.36197,0.49769,0.78821,76.609,0.33925,0.8579,-0.3859,84.03
> ui mousemode right "rotate selected models"
> view matrix models
> #4,-0.82789,0.45334,-0.33028,232.85,-0.02596,0.55725,0.82994,31.043,0.56029,0.69567,-0.44957,83.596,#5,-0.82789,0.45334,-0.33028,232.85,-0.02596,0.55725,0.82994,31.043,0.56029,0.69567,-0.44957,83.596
> fitmap #4 inMap #1
Fit map emdb 33154 in map cryosparc_P1078_J1017_002_volume_map_sharp.mrc using
104898 points
correlation = 0.8147, correlation about mean = 0.471, overlap = 1137
steps = 108, shift = 4.72, angle = 10.5 degrees
Position of emdb 33154 (#4) relative to
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
-0.77559150 0.44110259 -0.45153775 245.46031073
-0.19104122 0.51774969 0.83392956 51.53255230
0.60163202 0.73305099 -0.31729348 58.39718054
Axis -0.08185163 -0.85452901 -0.51291372
Axis point 118.21635546 0.00000000 61.69084670
Rotation angle (degrees) 141.95878126
Shift along axis -94.08010205
> fitmap #5 inMap #1
Fit molecule 7xe4 (#5) to map cryosparc_P1078_J1017_002_volume_map_sharp.mrc
(#1) using 12529 atoms
average map value = 0.5176, steps = 108
shifted from previous position = 4.28
rotated from previous position = 10.4 degrees
atoms outside contour = 5925, contour level = 0.40307
Position of 7xe4 (#5) relative to
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
-0.77580956 0.44096383 -0.45129860 245.45501288
-0.19028465 0.51843695 0.83367553 51.42373913
0.60159063 0.73264864 -0.31829969 58.48259859
Axis -0.08201767 -0.85477760 -0.51247278
Axis point 118.18885277 0.00000000 61.73225462
Rotation angle (degrees) 141.98375373
Shift along axis -94.05824869
> volume #4 level 0.01035
> surface dust #4 size 9.2
> volume #4 level 0.008252
> volume #4 level 0.009126
> select clear
> hide #!2 models
> hide #!5 models
> show #!1 models
> hide #!1 models
> show #!2 models
> hide #!4 models
> show #!4 models
> hide #!4 models
> show #!4 models
> volume #4 level 0.007727
> show #!5 models
> hide #!3 models
> color #4 #ffb2ff7f models
> color #4 #ffb2ffa2 models
> color #4 #ffb2ffd0 models
> color #4 #ffb2ffd1 models
> hide #!2 models
> hide #!4 models
> show #!4 models
> hide #!4 models
> show #!4 models
> hide #!4 models
> show #!4 models
> color #5 #941100ff
> color #4 #ffb2ffaa models
> color #4 #ffb2ffab models
> hide #!4 models
> show #!4 models
> hide #!4 models
> show #!4 models
> hide #!5 models
> show #!5 models
> hide #!5 models
> volume #4 level 0.00965
> volume #4 level 0.006328
> volume #4 level 0.009126
> show #!1 models
> hide #!1 models
> show #!3 models
> volume #3 level 0.0285
> volume #4 level 0.009126
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!2 models
> show #!1 models
> hide #!1 models
> show #!3 models
> hide #!4 models
> show #!5 models
> hide #!5 models
> show #!5 models
> hide #!5 models
> show #!5 models
> show #!4 models
> hide #!5 models
> hide #!3 models
> hide #!4 models
> show #!5 models
> color #5 #0433ffff
> select #5/F:1357
11 atoms, 10 bonds, 1 residue, 1 model selected
> select #5/F:639
11 atoms, 11 bonds, 1 residue, 1 model selected
> show sel atoms
> show #!4 models
> hide #!4 models
> show #!1 models
> hide #!1 models
> select #5/F:619
14 atoms, 15 bonds, 1 residue, 1 model selected
> select #5/F:617
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #5/F:618
11 atoms, 10 bonds, 1 residue, 1 model selected
> show sel atoms
> show #!1 models
> hide #!1 models
> show #!4 models
> volume #4 level 0.008601
> fitmap #5 inMap #4
Fit molecule 7xe4 (#5) to map emdb 33154 (#4) using 12529 atoms
average map value = 0.0173, steps = 56
shifted from previous position = 0.0796
rotated from previous position = 0.0627 degrees
atoms outside contour = 2448, contour level = 0.0086013
Position of 7xe4 (#5) relative to emdb 33154 (#4) coordinates:
Matrix rotation and translation
1.00000000 0.00005862 0.00004014 -0.00661266
-0.00005862 1.00000000 -0.00007132 0.02208420
-0.00004015 0.00007131 1.00000000 -0.00293560
Axis 0.70843877 0.39881019 -0.58229283
Axis point 0.00000000 -6.44294241 277.04962384
Rotation angle (degrees) 0.00576774
Shift along axis 0.00583212
> volume #4 level 0.008601
> show #!3 models
> hide #!4 models
> hide #!5 models
> show #!5 models
> hide #!5 models
> show #!4 models
> hide #!3 models
> hide #!4 models
> show #!4 models
> hide #!4 models
> show #!3 models
> hide #!3 models
> show #!1 models
> hide #!2 models
> show #!4 models
> volume #1 level 0.4236
> volume #4 level 0.009126
> volume #1 level 0.4133
> show #!2 models
> hide #!2 models
> hide #!4 models
> hide #!1 models
> show #!1 models
> show #!4 models
> hide #!4 models
> show #!4 models
> hide #!1 models
> show #!2 models
> hide #!2 models
> volume #4 level 0.008077
> show #!2 models
> hide #!2 models
> show #!5 models
> hide #!5 models
> hide #!4 models
> show #!4 models
> show #!1 models
> hide #!4 models
> hide #!1 models
> show #!3 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> volume #1 level 0.4031
> volume #1 level 0.4133
> volume #1 level 0.4031
> surface dust #1 size 13
> ui tool show "Hide Dust"
> surface dust #1 size 1.3
> surface undust #1
> volume #1 level 0.4338
> volume #1 level 0.5363
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> show #!2 models
> hide #!2 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!2 models
> select #2:1248
Nothing selected
> select #2:1209
12 atoms, 11 bonds, 1 residue, 1 model selected
> hide #!3 models
> show sel atoms
> color sel orange red
> show #!4 models
> hide #!4 models
> show #!1 models
> volume #1 level 0.3826
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!2 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> volume #3 level 0.02985
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> volume #1 level 0.4338
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
Desktop color scheme is light
> view matrix models
> #2,-0.66534,0.63156,0.39805,104.96,-0.71668,-0.68965,-0.10371,419.38,0.20902,-0.35428,0.91148,37.72
[Repeated 2 time(s)]
> show #!1 models
> volume #1 level 0.4953
> show #!4 models
> show #!2 models
> hide #!4 models
> hide #!1 models
> show #!1 models
> save /Users/shamiul/projects/fks1/apo_drug_sac_model44.cxs includeMaps true
——— End of log from Tue Jan 20 09:48:17 2026 ———
> view name session-start
opened ChimeraX session
OpenGL version: 4.1 Metal - 89.4
OpenGL renderer: Apple M2
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 Air
Model Identifier: Mac14,2
Model Number: MLY33LL/A
Chip: Apple M2
Total Number of Cores: 8 (4 performance and 4 efficiency)
Memory: 8 GB
System Firmware Version: 13822.61.10
OS Loader Version: 11881.140.96
Software:
System Software Overview:
System Version: macOS 15.7.3 (24G419)
Kernel Version: Darwin 24.6.0
Time since boot: 7 hours, 13 minutes
Graphics/Displays:
Apple M2:
Chipset Model: Apple M2
Type: GPU
Bus: Built-In
Total Number of Cores: 8
Vendor: Apple (0x106b)
Metal Support: Metal 3
Displays:
DELL E2414H:
Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
UI Looks like: 1920 x 1080 @ 60.00Hz
Main Display: Yes
Mirror: Off
Online: Yes
Rotation: Supported
Color LCD:
Display Type: Built-in Liquid Retina Display
Resolution: 2560 x 1664 Retina
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
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
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
ndindex: 1.10.1
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.14.1
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
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
pynmrstar: 3.3.6
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
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
tifffile: 2025.3.13
tinyarray: 1.2.5
tornado: 6.5.4
traitlets: 5.14.3
typing-inspection: 0.4.2
typing_extensions: 4.15.0
tzdata: 2025.3
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
|
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Query Language
query: TracLinks and the [[TicketQuery]] macro both use a mini “query language” for specifying query filters. Filters are separated by ampersands (&). Each filter consists of the ticket field name, an operator and one or more values. More than one value are separated by a pipe (|), meaning that the filter matches any of the values. To include a literal & or | in a value, escape the character with a backslash (\).
The available operators are:
= | the field content exactly matches one of the values |
~= | the field content contains one or more of the values |
^= | the field content starts with one of the values |
$= | the field content ends with one of the values |
All of these operators can also be negated:
!= | the field content matches none of the values |
!~= | the field content does not contain any of the values |
!^= | the field content does not start with any of the values |
!$= | the field content does not end with any of the values |
The date fields created and modified can be constrained by using the = operator and specifying a value containing two dates separated by two dots (..). Either end of the date range can be left empty, meaning that the corresponding end of the range is open. The date parser understands a few natural date specifications like "3 weeks ago", "last month" and "now", as well as Bugzilla-style date specifications like "1d", "2w", "3m" or "4y" for 1 day, 2 weeks, 3 months and 4 years, respectively. Spaces in date specifications can be omitted to avoid having to quote the query string.
created=2007-01-01..2008-01-01 | query tickets created in 2007 |
created=lastmonth..thismonth | query tickets created during the previous month |
modified=1weekago.. | query tickets that have been modified in the last week |
modified=..30daysago | query tickets that have been inactive for the last 30 days |
See also: TracTickets, TracReports, TracGuide, TicketQuery