Hello ChimeraX Support, I am trying to use Boltz within ChimeraX to analyze ligand binding affinity, but I cannot find the corresponding option. I do not see any menu item or text that says “Predict Binding Affinity for.” [cid:51284bde-0c95-4cd2-bdd4-9570eef8bf69] When I run an example similar to the one shown in your video for the HIV protease<https://www.youtube.com/watch?v=h06yOBcaOqc> to evaluate ligand interactions, I obtain the generated 3D structure, but no table with ligand prediction values is produced. I installed ChimeraX just yesterday, so I assume I am using the latest version. Boltz is installed inside ChimeraX as well. Could you please advise how I can obtain the ligand interaction values? Thank you, Oscar Oscar Perez-Leal, MD Associate Professor Moulder Center For Drug Discovery Research Temple University School of Pharmacy 3307 N Broad St, Room 556 Philadelphia, PA, 19140 Tel: 215-707-4871 [cid:e222d198-ed2f-42a9-91a3-dab997f1387c]<https://outlook.office.com/bookwithme/user/3647ce5c96e849969435512aaf86933a@...> Book time to meet with me<https://outlook.office.com/bookwithme/user/3647ce5c96e849969435512aaf86933a@...>
Hi Oscar, You need a recent ChimeraX daily build. The current ChimeraX 1.10.1 version is too old. The ChimeraX change log says that boltz affinity prediction was added in July 2025 and batch ligand affinity prediction in August 2025. https://www.rbvi.ucsf.edu/trac/ChimeraX/wiki/ChangeLog Tom
On Oct 23, 2025, at 2:29 PM, Dr. Oscar Perez via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Hello ChimeraX Support,
I am trying to use Boltz within ChimeraX to analyze ligand binding affinity, but I cannot find the corresponding option. I do not see any menu item or text that says “Predict Binding Affinity for.”
<image.png>
When I run an example similar to the one shown in your video for the HIV protease <https://www.youtube.com/watch?v=h06yOBcaOqc> to evaluate ligand interactions, I obtain the generated 3D structure, but no table with ligand prediction values is produced.
I installed ChimeraX just yesterday, so I assume I am using the latest version. Boltz is installed inside ChimeraX as well.
Could you please advise how I can obtain the ligand interaction values?
Thank you,
Oscar
Oscar Perez-Leal, MD Associate Professor Moulder Center For Drug Discovery Research Temple University School of Pharmacy 3307 N Broad St, Room 556 Philadelphia, PA, 19140 Tel: 215-707-4871 <Outlook-piiszkym.png> <https://outlook.office.com/bookwithme/user/3647ce5c96e849969435512aaf86933a@...> Book time to meet with me <https://outlook.office.com/bookwithme/user/3647ce5c96e849969435512aaf86933a@...> _______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu> To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu <mailto:chimerax-users-leave@cgl.ucsf.edu> Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/
participants (2)
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Dr. Oscar Perez -
Tom Goddard