ChimeraX Module

[ChrisHandelmann]

I'm hoping to have the UCSF chimerax program (https://www.cgl.ucsf.edu/chimerax/download.html) as a module on ccr. The goal is to access the library of chimerax functions for use in Python scripts using import chimerax. The module was previously available and I'm hoping to get it back. Thank you,

Christopher Handelmann

[dsajdak]

Note for CCR staff: There is a chimera EB recipe that should be able to be used for chimeraX

[tonykew]

ChimeraX is not the same as Chimera
All the downloads at https://www.rbvi.ucsf.edu/chimerax/download.html
are binary downloads.
..however, there is a GitHub repo:
https://github.com/RBVI/ChimeraX
I'll see if it would be possible to build ChimeraX from this repo.

[tonykew]

ChimeraX uses Python module "tomllib" which is part of Python itself, introduced
in Pythlon 11 so this will not build with the ccrsoft/2023.01 software release, which
includes Python version version 3.9.6
This may not be practical to build in any respect. Much of the build code downloads
wheel binary packages (.whl files) from https://cxtoolshed.rbvi.ucsf.edu (which was
down for several days)
I will try to revisit this with the ccrsoft/2024.04 software release, but this may be a
package that is only particle to download in binary form with (for example) Ubuntu
in apptainer or podman