May 2023 - ChimeraX-users - RBVI Mailing Lists

Missing Vina on ChimeraX
by Luigi Marongiu 03 Apr '24

03 Apr '24

Dear sir or madam, I am using UCSF ChimeraX version 1.5 (2022-11-24). I have been trying to use AutoDock Vina but there is no such command in my version. How do I install it into ChimeraX (as shown in many tutorials, Vina is part of Chimera)? Thank you. Best regards, Luigi Marongiu Ph.D., B.Sc. (Hons.)

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Colouring clipping plane
by GOVAERTS Cédric 20 Jan '24

20 Jan '24

Hi ChimeraX team. I’m trying to get an image of a protein whose surface is colored by electrostatic properties but clipped halfway. I would like the clipping plane to be white, not red/blue according to the electrostativ properties of the residues insides the protein. However, I don’t’ seem to be able to do that. -If I color everything white and then click on Molecular-Display “electrostatic”, the clipping plane also gets the electrostatic coloring [Graphical user interface Description automatically generated] -If I color everything white and then click on Molecular-Display “hydrophobic” or “rainbow” it works, the clipping plane remains white. [cid:image002.png@01D94092.6E8A2390] Can you help me getting the white clipping plane with electrostatic surface ? Thanks a bunch Cedric — Prof. Cedric Govaerts, Ph.D. Universite Libre de Bruxelles Campus Plaine. Phone :+32 2 650 53 77 Building BC, Room 1C4 203 Boulevard du Triomphe, Acces 2 1050 Brussels Belgium http://govaertslab.ulb.ac.be/

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ISOLDE and secondary structure restraints
by Guido Hansen 17 Nov '23

17 Nov '23

Hi all, I just started model building in cryoEM maps and get great results using ISOLDE on AlphaFold2-derived initial models. I have a question which is mainly directed to Tristan I guess: Is is possible to use the command line/script to apply secondary structure restraints in ISOLDE? I would like to restrain the initial secondary structure assignment from Alphafold especially at resolution worse than 3.5 A. At the moment I select each and every residue range assigned to helix, parallel or antiparallel beta-strand one after the other and turn on the corresponding restrains in the ISOLDE GUI. Is there a better way via command line of script? Cheers, Guido -- PD Dr. Guido Hansen Group Leader UNIVERSITÄT ZU LÜBECK INSTITUT FÜR BIOCHEMIE Tel +49 451 3101 3122 Fax +49 451 3101 3104 E-Mail hansen(a)biochem.uni-luebeck.de www.biochem.uni-luebeck.de [1] Ratzeburger Allee 160 23562 Lübeck Links: ------ [1] http://www.biochem.uni-luebeck.de

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Feature request: replace residues in model with residues from other model
by Vorländer,Matthias Kopano 16 Nov '23

16 Nov '23

Dear ChimeraX team, Thanks a lot for developing the amazing tool that is ChimeraX! I use it extensively for model building, and would like to request a functionality to replace a residue selection in one model from residues in another model (similar to what is possible in coot via the replace fragment functionality). I am aware that this currently possible by a combination of delete, combine, and changechains, but it would be great if this could be shortcutted. Many thanks in advance, Matthias

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Virus detected on Chimera X download
by Amy E. Kennedy 30 May '23

30 May '23

To whom it may concern: I downloaded the Windows executable from https://www.rbvi.ucsf.edu/chimerax/download.html this afternoon, and my antivirus software intercepted and neutralized a suspicious item when I opened the file. You may want to do a thorough check of your systems. Best, Amy Amy E. Kennedy (she/her) Doctoral Candidate, Mierke-Pellegrini Lab Biochemistry & Cell Biology, MCB, Guarini School of Graduate Studies PhD Innovation Fellow | E. E. Just Fellow

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Can I use autodock vina
by NAGANO Kyogo 30 May '23

30 May '23

Hello. I started using the ChimeraX from today. And, I want to use the autodock vina with ChimeraX. In the case of Chimera, Tools→Surface/Bindind/Analysis→Autodock vina. But,in the case of ChimeraX, I couldn't find it. So, I want to know how to use Autodock in ChimeraX. Thank you.

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Run Session Command Not Working
by Aashna Soni 30 May '23

30 May '23

Hi, I hope this email finds you well. I am trying to use the ChimeraX Python shell to run commands programmatically. When I try to run this command: run(session, "open <insert filepath>"), I am getting this error: "AttributeError: module 'chimerax.core.session' has no attribute 'models'." I have not written any import statements at the top (this is the first line in the Python shell). I am getting similar errors when I run any run(session, ...) command. Could you please help me resolve this issue? Thanks in advance. Warm regards, Aashna

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ChimeraX server problems
by Tom Goddard 25 May '23

25 May '23

ChimeraX web services (BLAST protein, Modeller, sequence alignment) are currently down. Also ChimeraX bug reporting is down. We updated our servers last week (CentOS 7 to Rocky 8) and are working on restoring these services. Thanks for your patience. Tom

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chimerax-users mailing list should be working
by Greg Couch 24 May '23

24 May '23

But the web interface to look at old messages will take some time to get to work. -- Greg

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chimerax-users mailing list will be down temporarily
by Greg Couch 23 May '23

23 May '23

We're upgrading the mailing list software. Should be back "soon".

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ChimeraX-users May 2023