[chimerax-users] Keep coordinates and radii of atoms

[Eric Pettersen]

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 at 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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