September 2025 - ChimeraX-users - RBVI Mailing Lists

Re: [EXTERNAL] Question about the software features
by Elaine Meng 09 Sep '25

09 Sep '25

Hi Sepid, There is nothing to map genetic coordinates onto a structure. However, you can show the sequence that goes with your structure (if this is a protein, the amino acid sequence, NOT the DNA) in a separate window and choose residue(s) from there. How do you get the amino acid sequence? Well, you could fetch the corresponding UniProt ID, if you know what it is (e.g. go to uniprot.org <http://uniprot.org/> and search to find it), e.g. command open uniprot:LDLR_HUMAN ... or you can simply show the amino acid sequence directly taken from the structure, e.g. if it is chain B in your structure, command sequence chain /B See the Sequence Viewer documentation for how the sequence and associated structure interact. <https://rbvi.ucsf.edu/chimerax/docs/user/tools/sequenceviewer.html> I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Resource for Biocomputing, Visualization, and Informatics Department of Pharmaceutical Chemistry University of California, San Francisco > On Sep 9, 2025, at 3:15 PM, Mazrouee, Sepideh (NIH/OD) [E] <sepid.mazrouee(a)nih.gov> wrote: > > Hi Elaine, > > Thank you for your suggestions. While arbitrary labels could be a workaround, I need a more precise solution. > > I have a list of genetic coordinates for several protein domains generated by another program. Is there a way to map these coordinates onto the ChimeraX GUI? maybe via the “Nucleotide,” “Sequence,” or a related menu option? If I can locate the residues in the structure, I can then apply custom labels you suggested to highlight them. > > I would appreciate your help! > > Best, > Sepid

1 0

Color cartoon transfer
by Михаил Егорочкин 07 Sep '25

07 Sep '25

Hello, my name is Michael. While using ChimeraX, I encountered a problem with transferring colored models. I created a session in Chimera where I loaded several PDB files, applied custom coloring to them, and now I want to combine the colorings from two different sessions. However, I cannot manage to do this. I tried using the .ccm format, but any session save results in a 0-byte file, and I haven’t found a solution yet. Do you have any idea how this issue can be resolved? Best regards, Michael.

2 2

Monitor distance throughout the trajectory
by Alexandra Zahradnikova 05 Sep '25

05 Sep '25

Hi I would like to record the evolution of distance between two atoms along all points of a MD trajectory into a file but I cannot find a command to keep saving/displaying the distance in the log for the whole trajectory, just for individual points (although of course the actual distance is shown in the GUI when the trajectory is played). Thanks in advance for help. Best regards Sasha

3 5

Re: ChimeraX bond rotation with right mouse
by Elaine Meng 05 Sep '25

05 Sep '25

Hello David Ron, For future reference, please use the chimerax-users(a)cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu> address CC'd here for asking questions, to ensure you get an answer. Right Mouse tool documentation says you can combine the "bond rotation" mouse mode with Shift key to move the larger side instead of the smaller side. Scroll down to see the "bond rotation" description: <https://rbvi.ucsf.edu/chimerax/docs/user/tools/mousemodes.html> I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Resource for Biocomputing, Visualization, and Informatics Department of Pharmaceutical Chemistry University of California, San Francisco > On Sep 5, 2025, at 7:00 AM, David Ron <dr360(a)cam.ac.uk> wrote: > > Dear Dr. Meng, > Can you advise on a matter arising in ChimeraX [version 1.10 (2025-06-26)] > When using the right-mouse option to rotate a bond, is there an option to specify which part of the model moves and which part stays in place? > ChimeraX’s default seems set (intelligently enough) to rotate the portion of the model with the smallest mass (the fewest atoms), but sometimes it is convenient to be able to use then right mouse to rotate the bulkier part of the model, leaving the less bulky part in place. > Can this be achieved? > [I am aware of the option of using the command line to specify torsion angle about a dihedral (and which parts of the model moves), but this requires entering a specific angle of rotation and thus lacks the kind of fine control afforded by the right mouse bond rotation feature]. > Thanks for considering. > Sincerely, > David Ron > Cambridge Institute for Medical Research > University of Cambridge > Keith Peters Building > Addenbrookes Hospital > Cambridge CB2 0XY > United Kingdom > Office: +44 1223 768 940 > Mobile: +44 7941 015 666 > Email: dr360(a)cam.ac.uk

2 1

ChimeraX 1.8 user manual
by NUR SYAMIM SYAHIRAH MAT HUSSIN 05 Sep '25

05 Sep '25

Hi, I am a new user. I am working on aptamer design. The target is animal protein. However, I am not very capable of using ChimeraX to view my aptamer-binding (after finishing docking). Can I get any tips, manuals, or video demonstrations that relate to the study? Regards PENAFIAN: E-mel ini dan apa-apa fail yang dihantar bersama-samanya ("Mesej") adalah dihasratkan hanya untuk kegunaan penerima yang dinyatakan di atas dan mungkin mengandungi maklumat yang tidak umum, bermilik, istimewa, sulit dan dikecualikan dari penzahiran di bawah undang-undang yang terpakai termasuklah Akta Rahsia Rasmi 1972. BACA SELANJUTNYA... <https://mail.uitm.edu.my/disclaimer> DISCLAIMER : This e-mail and any files transmitted with it ("Message") is intended only for the use of the recipient(s) named above and may contain information that is non-public, proprietary, privileged, confidential and exempt from disclosure under applicable law including the Official Secrets Act 1972. READ MORE... <https://mail.uitm.edu.my/disclaimer>

2 1

Hide missing residues label
by colin＠gauvin.id 04 Sep '25

04 Sep '25

Hello all, If there are a number of missing residues, sometimes there is a label such as "16 residues" at the dashed line where they would be. Is there a way to hide this for figure making? For the life of me, I cannot figure it out. Best, Colin

2 1

residues labels not showing; no error in the log
by Krishnan Raman 04 Sep '25

04 Sep '25

[cid:image001.png@01DC1DA9.88EDB2F0] Residue labels not showing up with no error in the log! I am sure iam missing something. Krishnan Raman Executive Director, Structural Biology BioCryst Pharmaceuticals CONFIDENTIALITY NOTICE This email, including any attachments, may contain confidential or legally privileged information that is intended only for the individual or entity to whom it is addressed. If you are not the intended recipient, please be advised that any dissemination, distribution or copying of this email and any attachment is strictly prohibited. If you have received this email in error, please reply to the sender so that BioCryst Pharmaceuticals, Inc. can take corrective measures and then permanently delete this email and any attachment, including any printed copies. Thank you.

2 1

Cylindrical averaging for radial density profiles
by Dmitry Semchonok 04 Sep '25

04 Sep '25

Dear Colleagues, I need to perform cylindrical averaging of membrane protein density maps (MRC files) to generate radial density profiles for membrane thickness analysis. Does ChimeraX have built-in functionality for this, or are there existing scripts/plugins available? If not, could you provide guidance on the best approach to implement this? Thank you! Kind regards, Dmitry

2 3

How to apply selected graphics JUST to the side chain and not the backbone?
by mfmccl＠berkeley.edu 03 Sep '25

03 Sep '25

Hello all! I can't seem to figure out how to apply selected graphics to give a silhouette on residues of interest without it adding a silhouette to the side chain and the respective backbone cartoon. Is it possible to just select the sidechain atoms only? I've tried my usual tricks but can't seem to get it to work. I've tried "cartoon suppress true" & selecting the individual atoms of the sidechain but it always also selects the cartoon backbone. Thanks! Madi

2 2

Minimize structure capability in chimeraX?
by Kabir Gupta 02 Sep '25

02 Sep '25

Hi all, Does ChimeraX currently have the capability to minimize a structure? The functionality I'm talking about is of the sort available under Tools -> Structure Editing -> Minimize Structure... in the original Chimera. Last I can find is from a mail thread in 2020, at which point this had not yet been implemented in ChimeraX. Is there an acceptable substitute to achieve the same thing now, or do I have to reopen in original Chimera to do minimizations? Thanks very much, Kabir

2 2