- ChimeraX-users - RBVI Mailing Lists

Values at atom positions
by Gőcze Máté 27 Mar '23

27 Mar '23

Hello, I have an issue with saving values at atom positions from the command line. I can attach the attributes to the atoms but when i use: save filename attrName a:mapvalue format defattr matchMode 1-to-1 I get: One or more attribute values aren't integer, floating-point, string or None (e.g. 3.8542745); skipping those Saved attribute 'mapvalue' of 0 atoms using match mode: 1-to-1 to filename can you please help me resolve the issue. I have tried reformatting the headers of my map but it didn't help. Thank you for your help.

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Changing line thickness of individual selections
by Raulf, Karoline 27 Mar '23

27 Mar '23

Hi everyone, I have a question about the graphical representation of my model in ChimeraX. Here, I have colored individual proteins and to make them even more visible, I would like to increase the line thickness of the silhouette of these proteins. But when I try this with the combination of the keyword graphic silhouette and sel, I don't get anywhere. Is there any way to change the line thickness of individual selections without changing the line thickness of the silhouette of the entire model? Thanks in advance for the help! Best Karoline

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commandline to change the step and threshold of all the maps
by Rayees Mattoo 23 Mar '23

23 Mar '23

Hi, If there is one, could you please share the command lines for changing the step and threshhold of all or the selected maps in chimeraX. Best

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Integrating Vina into ChimeraX
by Andy Tong 22 Mar '23

22 Mar '23

Hi, So I recently began using ChimeraX on my Windows PC and I'm stuck on how to integrate Vina into ChimeraX. I know that it's no longer automatically included in ChimeraX so I downloaded it separately, but where do I need to insert Vina's files for it to show up in the "tools" section under binding analysis, or how can I add a command to run Vina through Chimera? Thanks

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Right click bond rotation help
by Raneem Akel 16 Mar '23

16 Mar '23

Hello, I am trying to adjust some bonds in my protein model, however, I want to also be able to control which segment of the protein I’m rotating (i.e. C-terminus vs N-terminus). Is there a way to do that? I’m using ChimeraX 1.5 on Mac. Thank you! Raneem

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Importing pdb structures from OPM
by Prathvi Singh 15 Mar '23

15 Mar '23

Hi Elaine, I was wondering where it is possible to use the "open" command to import PDB structures of membrane proteins from OPM. I see in: https://www.cgl.ucsf.edu/chimerax/docs/user/commands/open.html#fetch that we can fetch data from various sources but OPM was not listed there. If this were possible, we could directly import membrane protein structures from OPM which have dummy residues that can be used to define membrane boundaries via the *define plane *command. Thank you -- Prathvi Singh, Research Fellow, Department of Biological Sciences & Bioengineering, Indian Institute of Technology, Kanpur-208016

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Re: [chimerax-users] [Chimera-users] Selecting planes using command line
by Elaine Meng 13 Mar '23

13 Mar '23

Hi Prathvi, I believe you would have to use ChimeraX to do this, not Chimera. So this answer is for ChimeraX only: You can select the plane models with Ctrl-click in the graphics window, or you can use the selection checkboxes in the Axes/Planes/Centroids tool (ChimeraX) or in the Model Panel, where you may need to use the disclosure triangles to see the submodels and their numbers. Or you can just look in the Model Panel to find out the number to specify that model directly in commands without using selection. You can move them separately from other models in the same was as any other models in ChimeraX. I.e. with "models" keyword of move/turn commands, or with mouse modes that move only the selected and/or clicked models. <https://www.rbvi.ucsf.edu/pipermail/chimerax-users/2023-February/004945.html> Of course, if you do this with the planes defined from the membrane "atoms" from the OPM database, you are no longer using their predicted membrane locations. I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco > On Mar 13, 2023, at 5:24 AM, Prathvi Singh via Chimera-users <chimera-users(a)cgl.ucsf.edu> wrote: > > Hi Elaine, > > I see that after defining a plane, it gets listed in the "Axes/Planes/Ellipsoids" section with each plane having a unique ID. However, I am unable to use these IDs to select planes individually via command line. Moreover, when I hover my mouse over a plane, it displays: #0:? > > How to select the planes using the command line? And, can I move these planes independent of the protein model? > > -- > Prathvi Singh, > Research Fellow, > Department of Biological Sciences & Bioengineering, > Indian Institute of Technology, Kanpur-208016 > _______________________________________________ > Chimera-users mailing list: Chimera-users(a)cgl.ucsf.edu > Manage subscription: https://www.rbvi.ucsf.edu/mailman/listinfo/chimera-users

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Possible to read a trajectory "lazily" or in the background?
by Ben Webb 13 Mar '23

13 Mar '23

Am I right in thinking that when reading a trajectory (e.g. .dcd file), all requested frames from that trajectory are first read in, after which the "coordset" command can be used to work with the trajectory? I am reading frames from an RMF file (using the RMF plugin, the "rmf readtraj" command) which is quite slow, perhaps a second per frame - because RMF stores local coordinates which must be transformed to make the global coordinates ChimeraX is using. So if the user asks to read 100 frames, ChimeraX becomes unresponsive for ~100s, which is not a great user experience. One possible solution would be to read the 100 frames "lazily", e.g. just create 100 copies of the active coordset, then when the user writes "coordset #1 N" for the first time or scrolls to frame N with "coordset slider", read in frame N from the RMF file and overwrite coordset N. That way there would be a 1s delay only the first time that frame is shown. Is this possible? I see there is an "active coordset changed" trigger - perhaps I could attach to that? Alternatively, is there an API for tools to run long-running processes in the background so that the user can work on other things in the meantime, or cancel it if it takes too long? Ben -- ben(a)salilab.org https://salilab.org/~ben/ "It is a capital mistake to theorize before one has data." - Sir Arthur Conan Doyle

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Interface residue plot.
by Amber Smith 10 Mar '23

10 Mar '23

I want to save the 2D image of the residue plot (the gray circles with the interacting residues outlined and numbered by residue number). When I left click I can see the menu but save plot as is not an option. Is there a way for me to save that window as an image? -- ammariesmith(a)gmail.com Amber.Smith(a)ucsf.edu Amber M. Smith, Ph.D Department of Biochemistry and Biophysics Yifan Cheng Lab, Genentech Hall University of California, San Francisco 600 16th Street, San Francisco CA 94158-2517 Lab: 415.514.9708

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Showing atoms of select residues while also showing the remainder of the model
by McClean, Phillip 09 Mar '23

09 Mar '23

Hi Everyone, I would like to show the atoms for just a few of the amino acid residues in a protein model will displaying the remainder of the model using the default format. Here is what I did: 1. Opened the model from my working directory 2. Selected a subset of residues using the select command: sel /A:102,105,106 3. Then used this command: show target a This command gives me the atoms for all of the residues. Is there a way to just show the atoms for the selected residues while also leaving the remainder of the model in the standard format. Thanks for any advice. Phil McClean

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