Pymol-remote support for biotite's AtomArray's

[Croydon-Brixton]

Hi @padix-key ,
I was wondering whether support for viewing AtomArray's in pymol-remote would be something that's of interest? (Disclaimer: I'm the developer)

In a nutshell, I envision being able to send AtomArray's from code to a pymol session or receiving a state as AtomArray from pymol. Maniupulation in either of the two (biotite/pymol) could then be transferred to the other. That pymol session may be running on the same machine, or it may run on a remote machine (e.g. in the setup where code is run on a cluster, say a university hpc or cloud provider and pymol is run locally on a laptop).

There may be a way to integrate ammolite nicely too.

This could be made an optional dependency (like dssp is for example). Luckily pymol-remote itself has no dependencies other than python built-in s, so would be very easy to integrate.

[padix-key]

There is currently a discussion about integrating Ammolite into Biotite (#709). Ammolite also handles the conversion from AtomArray to PyMOL objects, so this functionality is actually existing. So in my opinion the question is how do we tell Ammolite (or the potentially upcoming biotite.interface.pymol) not to run a PyMOL command locally, but to defer it to pymol-remote.PymolSession.do(). A potential solution would be some additional intermediate PyMOLCaller layer (name is WIP, I just made it up 😉) that can be overriden to inject pymol-remote in this place.

I can get back to you when I have the bandwidth to migrate Ammolite to Biotite, so we can align on this topic to find an elegant solution.

[Croydon-Brixton]

That sounds good to me! Thank you for the update :)