- ChimeraX-users - RBVI Mailing Lists

select by atom type in given model
by Steven Brawer 31 Jul '26

31 Jul '26

I have three models of the same protein. How can I select C3 carbons in a given model? When I do sel #3 C3 I get an error "Expected a Keyword". Therefore I have to select C3 in ALL models sel C3 and then do ~sel #1,2 for example, which deselects in models 1, 2. If I do "sel C3" and ctrl-click "in" model 1(only model 1 is visible), say, it deselects in all models. Is there a way to just select all C3 in model 3 in one single command? Is there a "keyword" for atom type (analogous to @ for atom names)? This would be very useful, for example, in command (cxc) files, where I wouldn't have to delineate all the models. (I suppose I could do ~sel #1,2,4,5,6,7,8 in a command file. This is ugly.) Thanks Steve

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cannot hide/delete hydrogens once added to protein
by Steven Brawer 28 Jul '26

28 Jul '26

Newbie: I ran open 2zcp delete /B delete solvent hide cartoons show atoms addh #1 hbond false ----------- lots of H atoms, colored white by default color @HC pink ------ NOTHING HAPPENS hide @HC --------- NOTHING HAPPENS hide #1 @HC --------- NOTHING HAPPENS select @HC --------- NOTHING HAPPENS select #1 @HC --------- NOTHING HAPPENS delete #1 @H ------ does not work either. How can I hide or delete the hydrogens? My understanding (from the documentation) is that HC denotes hydrogens bonded to carbons, H denotes hydrogens bonded to N or O (as appropriate) The following DOES work (sanity check) select C3 delete sel Thanks Steve

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ChimeraX crashed immediately when it tried to display hydrogen bonds.
by 2326313726＠qq.com 28 Jul '26

28 Jul '26

The Windows system I'm using. When I open a pdb file and want to display the hydrogen bonds near this residue, the software immediately shuts down. This issue didn't exist a week ago. I uninstalled and reinstalled the software today, and also turned off the antivirus software, but still, I can't display the hydrogen bonds.

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ChimeraX crashed immediately when it tried to display hydrogen bonds.
by ？ 27 Jul '26

27 Jul '26

Dear Engineer: The Windows system I'm using. When I open a pdb file and want to display the hydrogen bonds near this residue, the software immediately shuts down. This issue didn't exist a week ago. I uninstalled and reinstalled the software today, and also turned off the antivirus softchimerax-users(a)cgl.ucsf.eduware, but still, I can't display the hydrogen bonds. Thank you very much. Wishing you a happy life. ？ 2326313726(a)qq.com

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removing MMTF support
by Greg Couch 27 Jul '26

27 Jul '26

FYI, unless someone speaks up, we are planning to remove support for MMTF files in ChimeraX 1.13. And that is because two years ago (July 2024) the PDB stopped keeping their repository of MMTF files up-to-date. -- Greg

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Accelerate opening of AlphaFold models with ligands lacking a mmcif template?
by Ute Roehrig 27 Jul '26

27 Jul '26

Dear All, I am often opening AlphaFold 3 co-folding structures including small molecules in ChimeraX. In these models, ligands were provided as SMILES and are called LIG_X (with X being the chain label) in the AF3 output model.cif file. Opening these structures is very slow on my machine, because ChimeraX searches for a template for the ligands and finally fails with the warning "Unable to fetch template for 'LIG_X': will connect using distance criteria". Is there any workaround? E.g. by telling ChimeraX not to look for a template? Thank you for your help, Ute

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Re: downloading trouble
by Tom Goddard 22 Jul '26

22 Jul '26

Glad you got it to work. I think if a ChimeraX plugin says it requires ChimeraX version 12.0 then it will not be allowed to install on an older ChimeraX version like the 12.0 release candidates. Tom > On Jul 22, 2026, at 2:58 AM, jean-francois.gaucher(a)u-pariscite.fr wrote: > > Hi Tom, > > I just reinstalled the latest version of ChimeraX and it's working now. What a mystery! > > Thanks for your help. > > Have a good day, > > Jef > > > > Le 22/07/2026 à 03:02, Tom Goddard a écrit : >> Hi Jean-François, >> >> I don't know why the Install button for ISOLDE using ChimeraX menu Tools / More Tools... does nothing for you. I suggest updating to the current ChimeraX 1.12 release. You are using a 1.12 release candidate and the ISOLDE 1.12.0 version is for the ChimeraX 1.12 release. If that does not help you could download the ISOLDE distribution outside ChimeraX using a web browser from https://cxtoolshed.rbvi.ucsf.edu/apps/chimeraxisolde and then in ChimeraX use the toolshed install command to install the downloaded .whl file. >> >> toolshed install ~/Downloads/chimerax_isolde-1.12.0-cp311-cp311-macosx_11_0_universal2.whl >> >> Tom >> >>> On Jul 21, 2026, at 3:15 AM, jean-francois.gaucher--- via ChimeraX-users <chimerax-users(a)cgl.ucsf.edu> <mailto:chimerax-users@cgl.ucsf.edu> wrote: >>> >>> Dear Sir, >>> >>> I am having trouble downloading version 1.12.0 of ISOLDE from the ChimeraX "toolshed" (using version 1.12rc202606020412 (2026-06-02), installed on an Intel-based MacBook Pro running Sequoia 15.7.7). >>> >>> When I click the "install" button, nothing happens. >>> >>> Is this a bug, or have I missed something? >>> >>> Thank you for developing the ISOLDE software and for your assistance. >>> >>> Best regards, >>> >>> Jean-François Gaucher >>> >>> -- >>> Jean-Francois GAUCHER >>> Universite de Paris Cite - UFR de pharmacie >>> Laboratoire Cibles Therapeutiques et Conception de Medicaments >>> (CiTCoM) UMR 8038 CNRS/UPD >>> 4, av. de l'Observatoire 75270 Paris CEDEX 06 >>> Tel +33(0)1 70 64 94 07 FAX +33(0)1 53 73 99 25 >>> e.mail : jean-francois.gaucher(a)u-pariscite.fr <mailto:jean-francois.gaucher@u-pariscite.fr> >>> https://www.researchgate.net/profile/Jean-Francois_Gaucher/ >>> https://www.citcom.cnrs.fr <https://www.citcom.cnrs.fr/> >>> orcid 0000-0002-8448-1491 >>> >>> _______________________________________________ >>> ChimeraX-users mailing list -- chimerax-users(a)cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu> >>> To unsubscribe send an email to chimerax-users-leave(a)cgl.ucsf.edu <mailto:chimerax-users-leave@cgl.ucsf.edu> >>> Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/ >>> >> > -- > Jean-Francois GAUCHER > Universite de Paris Cite - UFR de pharmacie > Laboratoire Cibles Therapeutiques et Conception de Medicaments > (CiTCoM) UMR 8038 CNRS/UPD > 4, av. de l'Observatoire 75270 Paris CEDEX 06 > Tel +33(0)1 70 64 94 07 FAX +33(0)1 53 73 99 25 > e.mail : jean-francois.gaucher(a)u-pariscite.fr <mailto:jean-francois.gaucher@u-pariscite.fr> > https://www.researchgate.net/profile/Jean-Francois_Gaucher/ > https://www.citcom.cnrs.fr <https://www.citcom.cnrs.fr/> > orcid 0000-0002-8448-1491

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downloading trouble
by jean-francois.gaucher＠u-pariscite.fr 21 Jul '26

21 Jul '26

Dear Sir, I am having trouble downloading version 1.12.0 of ISOLDE from the ChimeraX "toolshed" (using version 1.12rc202606020412 (2026-06-02), installed on an Intel-based MacBook Pro running Sequoia 15.7.7). When I click the "install" button, nothing happens. Is this a bug, or have I missed something? Thank you for developing the ISOLDE software and for your assistance. Best regards, Jean-François Gaucher -- Jean-Francois GAUCHER Universite de Paris Cite - UFR de pharmacie Laboratoire Cibles Therapeutiques et Conception de Medicaments (CiTCoM) UMR 8038 CNRS/UPD 4, av. de l'Observatoire 75270 Paris CEDEX 06 Tel +33(0)1 70 64 94 07 FAX +33(0)1 53 73 99 25 e.mail : jean-francois.gaucher(a)u-pariscite.fr https://www.researchgate.net/profile/Jean-Francois_Gaucher/ https://www.citcom.cnrs.fr orcid 0000-0002-8448-1491

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ChimeraX packages cannot be installed on Debian testing due to libosmesa6/libnsl2 dependencies
by Bruno Hay Mele 21 Jul '26

21 Jul '26

Hi! I am unable to install any currently available ChimeraX release or daily build on my Debian testing because the Ubuntu packages depend on libraries that are no longer available in Debian testing. ucsf-chimerax_1.11.1ubuntu22.04_amd64.deb ucsf-chimerax_1.12ubuntu22.04_amd64.deb ucsf-chimerax-daily:amd64=2026.07.20ubuntu22.04 fail because I do not have/cannot install libnsl2, libosmesa6 ucsf-chimerax-daily:amd64=2026.07.20ubuntu24.04 fail because I do not have/cannot install libosmesa6 ucsf-chimerax-daily:amd64=2026.07.20ubuntu26.04 fail because I do not have/cannot install libc6 and libosmesa6 System information: Distribution: Debian GNU/Linux testing/forky Architecture: amd64 Kernel: 7.0.7+deb14-amd64 glibc: 2.42-17 GPU: Intel HD Graphics 4000, using the i915 driver Installed NIS library: libnsl3 2.0.1-2 Installed development package: libnsl-dev 2.0.1-2 Available SONAMEs: libnsl.so.3 libnsl.so.1 libnsl.so Not available from the configured Debian testing repositories: libnsl2 libosmesa6 libosmesa6-dev I am somewhat puzzled because, as far as I remember, both the production and daily builds were working on this same system until roughly two weeks ago. It is possible that a recent Debian testing upgrade removed or replaced the required compatibility libraries, so I may simply have been too aggressive in keeping the system fully up to date. -- Bruno Hay Mele, PhD https://github.com/bhym/

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using swapaa with custom built peptides
by Daniel Gurnon 20 Jul '26

20 Jul '26

Hi all, I occasionally use ChimeraX's "build structure" to construct short peptides to use in teaching. For efficiency's sake, it would be nice if I could take things I've already built and "mutate" an amino acid using the swapaa command. However, when I try to do this using a custom built structure (for example, selecting the residue I want to change, and then executing *swapaa sel arg*), I get the error "*No amino acid residues specified for swapping". * The command works for downloaded structures, just not the custom ones. Is there a missing attribute that swapaa checks for, that isn't created when you make a custom peptide? Dan ____________________________ Daniel Gurnon, Ph. D. Associate Professor of Chemistry and Biochemistry DePauw University Greencastle, IN 46135

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