I have a similar requirement, taking density and potential dstriutbutions from
jdftx which are written as plain binarry doubles. I use a script and
some code to create an xplor file which seems to work but I have
to adjust the position and scale to let it
overlay the ion positions that I read from an xyz file.
AFAICT xplor is about the only easy format that pymol takes
but I was debating about trying to find others. i think
I dug through my older version of pymol, went to the
effort of changing it all to c++/extern c and then dropped it.
The xplor approch seems to work well enough for now.
Is there an easier way?
Thanks.
----------------------------------------
> Date: Wed, 27 Mar 2013 13:41:24 +0400
> From: [email protected]
> To: [email protected]
> Subject: [PyMOL] Electrostatic potential surface
>
> Dear PyMol users!
>
>
> I wounder to know about built-in PyMol option for electrostatic
> potential visualisation.
>
> For example I have pdb coordinates of my protein as well as its
> electrostatic potential distribution (calculated by another software).
> Using MolMol with both of that files I can visualize the electrostatic
> potential surface by means of "PaintSurface" option. Can I do the same
> with the PyMOl?
>
>
>
> Thanks for help,
>
>
> James
>
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Submit your demo by 6/6/13. http://p.sf.net/sfu/intel_levelupd2d
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