Hi Aritz, I have been working on a Chimera→ChimeraX exporter, and though it’s not ready, it’s close to ready for atomic data only (i.e. not surfaces, volumes, etc.), and it works well enough to handle the Mole output. I have attached a file which is the result of applying the exporter to your data. You can open the attached file directly in ChimeraX. I will put the exporter into the Chimera daily build so that you can use it despite it not yet being fully ready for “official” release. You can access from File→Export Scene… or via the “export” command. The format name is ChimeraX and the file suffix is “.py” — so the command “export output.py” would be sufficient to do the export.

--Eric

Eric Pettersen UCSF Computer Graphics Lab

On Mar 31, 2020, at 8:39 AM, Aritz Roa Eguiara aritz.eguiara@cpr.ku.dk wrote:

Dear ChimeraX Team,

I am trying to represent a channels in ChimeraX. The output of Mole 2.5 is a .py for Chimera and I am trying to manually transfer to ChimeraX. Is there any easy way to do that? I would need that the coordinates and the radii of each atom is respected, but if I save it from Chimera in PDB the radii is not saved and saving the different atoms manually and then adding a script to give the the proper radius is extremely time consuming. Any suggestion?

All the best, Aritz

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