Hi Giono,

Chimera uses the GPUs for rendering graphics on your Mac M1 machine. You can see this if you use Chimera menu Help / Report a Bug..., it will tell you the graphics in use, on my machine,

OpenGL Vendor: Apple OpenGL Renderer: Apple M1 Max OpenGL Version: 2.1 Metal - 76.3

Maybe you mean you want Chimera to do non-graphics operations as Dylan suggested using the GPU. That requires code written specifically for the GPU, usually such code is only written for Nvidia GPUs using the CUDA library (Mac M1 does not support CUDA) and I don't think any Chimera code uses the GPU. The newer ChimeraX program uses the GPU for molecular dynamics calculations (tug mouse mode and ISOLDE cryoEM refinement tool).

Tom

On May 18, 2022, at 7:22 AM, Dylan Ramir via Chimera-users chimera-users@cgl.ucsf.edu wrote:

Hello Giono, I am not part of Chimera's team, though I have work with it in the past. From my experience I belive it is possible yet difficult to do. If I was tackling this problem I would start with a CUDA tool kit first or openCl. It make take some C knowledge to get the objects to interact nicely. I would also verify the accuracy of you GPU model via running a CPU module of the same object, if when you blast them together you get an identical structure ie. High alignment score you should be able to validate the accuracy of your gpu ran structure and start scale up from there.

Hope this is helpful or leads you down the right path! I'd be intrested to hear what you find. Thank you, Dylan Ramirez

https://www.linkedin.com/in/dylan-ramirez-81056b97 https://www.linkedin.com/in/dylan-ramirez-81056b97 On Wed, May 18, 2022, 7:33 AM Giono Matteo (PSI) via Chimera-users <chimera-users@cgl.ucsf.edu mailto:chimera-users@cgl.ucsf.edu> wrote:

Dear all,

Does anyone know if it’s possible to make Chimera use GPUs instead of CPUs? I have a 2021 Macbook Pro with 12-core GPUs and knowing that all the work is done by the CPU make all these GPUs kind of useless.

Best,

MG

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Hi Hernando, You need "wait" commands to enforce ordered execution in a script. I.e.

coordset #20 1,51; wait 50 turn y 90 coordset #20 1,51

... or if you're going to put more stuff after the second coordset, you'd want to put it there too. I'd just do this

coordset #20 1,51; wait 50 turn y 90; wait coordset #20 1,51; wait 50

See explanations of command files and "wait" https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/indexcommand.html#cmdfile https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/wait.html

You could also wait longer after the turn, or turn gradually, if you don't want it to be so abrupt.

I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco

On May 18, 2022, at 2:12 PM, Hernando J Sosa via Chimera-users chimera-users@cgl.ucsf.edu wrote:

Dear Chimera,

I am trying to make a movie/animation using coordset in combination with other commands to move the models and noticed that the coordset comand is always executed last and only once regardless of the order in which the commands are given in the script.

eg: the following script:

coordset #20 1,51; turn y 90 coordset #20 1,51

results in:

turn y 90 coordset #20 1,51

i.e. the first corrdset comand is ignored, the models are rotated and then coordset is run.

Is there any way to avoid this behavior? As can be seen form the first script the idea is to run the morph movie in one orientation rotate it and then run it again in the new orientation. Is there an easy way to do this?

Thanks

H.