Opened 3 days ago

Last modified 6 hours ago

#19448 accepted task

Supported coordinate set looping

Reported by: Tony Schaefer Owned by: Eric Pettersen
Priority: normal Milestone:
Component: MD/Ensemble Analysis Version:
Keywords: Cc: Tom Goddard
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        Windows-10-10.0.19045
ChimeraX Version: 1.11rc202511271917 (2025-11-27 19:17:23 UTC)
Description
Just wondering if there's an intended way to do something. I have a tool, and I want to user to be able to click an "animate" button, which will then cause ChimeraX to infinitely loop through the coordinate sets of a structure. This is for animating normal vibrational modes. I was able to this do in previous versions of ChimeraX (e.g. 1.6.1, not sure when it changed).

The way I did this previously was basically

from chimerax.std_commands.coordset_gui import CoordinateSetSlider

```
...
<code to figure out coordinates from selected normal mode and other settings>
...
slider =  CoordinateSetSlider(
    session,
    model,
    movie_framerate=anim_fps,
    pause_frames=pause_frames,
)
slider.play_cb()
```

Looking through the code for Slider again, and I think `slider.play()` might be more appropriate. But what this is doing in the current version of ChimeraX, it's just opening the coordset slider gui. It does not cause the coordsets to start playing (even with `slider.play()` instead). Is there any intended way to do basically "coordset #model loop forever"? 

Log:
> cd C:\Users\normn/Desktop

Current working directory is: C:\Users\normn\Desktop  

> graphics selection width 4

UCSF ChimeraX version: 1.11rc202511271917 (2025-11-27)  
© 2016-2025 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  
Successfully installed 'SEQCROW==1.9.4'  
Found existing installation: SEQCROW 1.9.4  
Uninstalling SEQCROW-1.9.4:  
Successfully uninstalled SEQCROW-1.9.4  
  

> toolshed install
> C:\Users\normn\Documents\GitHub\SEQCROW\dist\SEQCROW-1.9.4-py3-none-any.whl

Installed SEQCROW (1.9.4)  

> open C:\Users\normn\Downloads\A.log format log

Summary of feedback from opening C:\Users\normn\Downloads\A.log  
---  
notes | A.log has 1 imaginary harmonic vibrational mode  
65.50i  
  
  
Opened A.log as a Gaussian output file  

> ui tool show "Visualize Normal Modes"

> coordset #1 bounce true

> close

> open C:\Users\normn\Downloads\A.log format log

Summary of feedback from opening C:\Users\normn\Downloads\A.log  
---  
notes | A.log has 1 imaginary harmonic vibrational mode  
65.50i  
  
  
Opened A.log as a Gaussian output file  




OpenGL version: 3.3.0 Core Profile Context 25.11.1.251031
OpenGL renderer: AMD Radeon RX 7900 XT
OpenGL vendor: ATI Technologies Inc.

Python: 3.11.9
Locale: en_US.cp65001
Qt version: PyQt6 6.9.1, Qt 6.9.0
Qt runtime version: 6.9.2
Qt platform: windows

Manufacturer: To Be Filled By O.E.M.
Model: To Be Filled By O.E.M.
OS: Microsoft Windows 10 Home (Build 19045)
Memory: 34,281,000,960
MaxProcessMemory: 137,438,953,344
CPU: 16 AMD Ryzen 7 5700X3D 8-Core Processor           
OSLanguage: en-US

Installed Packages:
    aiohappyeyeballs: 2.6.1
    aiohttp: 3.13.1
    aiosignal: 1.4.0
    alabaster: 1.0.0
    annotated-types: 0.7.0
    anyio: 4.11.0
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    asttokens: 3.0.1
    attrs: 25.4.0
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    beautifulsoup4: 4.13.5
    blockdiag: 3.0.0
    blosc2: 3.11.1
    build: 1.3.0
    certifi: 2025.11.12
    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
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    ChimeraX-BlastProtein: 3.0.0
    ChimeraX-Boltz: 1.1
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    ChimeraX-BugReporter: 1.0.2
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    ChimeraX-Core: 1.11rc202511271917
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    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
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    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.4
    ChimeraX-ItemsInspection: 1.0.1
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    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.2
    ChimeraX-Map: 1.3
    ChimeraX-MapData: 2.0
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    ChimeraX-MapFilter: 2.0.1
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    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
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    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.6.5
    ChimeraX-RenumberResidues: 1.1
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    ChimeraX-RotamerLibMgr: 4.0
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    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
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    ChimeraX-Shape: 1.1
    ChimeraX-Shell: 1.0.1
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    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
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    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
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    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
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    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
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    comm: 0.2.3
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Change History (6)

comment:1 by Eric Pettersen, 11 hours ago

Cc: Tom Goddard added
Component: UnassignedMD/Ensemble Analysis
Owner: set to Eric Pettersen
Platform: all
Project: ChimeraX
Status: newaccepted
Summary: ChimeraX bug report submissionSupported coordinate set looping

comment:2 by Eric Pettersen, 11 hours ago

Type: defecttask

comment:3 by Tom Goddard, 9 hours ago

How about

coordset #1 loop 1000000

and to stop the playback

stop

comment:4 by Eric Pettersen, 9 hours ago

Hi Tony,

I'm not sure what's going on in your code, but if I open a structure with coordinate sets and then use ChimeraX's Python shell to find the coordinate set slider with:

slider = [tool for tool in session.tools if tool.class.name.contains("Slider")][0]

I can then call slider.play() and the coordinate set plays infinitely.

comment:5 by Tony Schaefer, 9 hours ago

Eric,

I'm not sure either. Maybe the tool needs some setup time for some reason?
I did test it with the shell to make sure silder.play() did what it should,
but running it in the line after creating the slider isn't working for me.

Tom,

I will probably do something similar to this. Thanks for the suggestion.

Best,

Tony

On Mon, Dec 1, 2025 at 2:43 PM ChimeraX <ChimeraX-bugs-admin@cgl.ucsf.edu>
wrote:

>
>
>
>

comment:6 by Eric Pettersen, 6 hours ago

Is the behavior any different if you put "session.ui.processEvents()" between the call creating the slider and the one playing it?

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