VMD-L Mailing List
From: Josh Vermaas (vermaas2_at_illinois.edu)
Date: Thu Jan 09 2014 - 16:36:59 CST
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Hi Ricardo,
I'm not sure if this is what you want, but it sounds like you are trying
to just color an approximation of the protein boundary by what is loaded
into the volumetric data. What I do is just use the quicksurf
representation for my protein (which isn't quite SASA, but is close
enough), and then color by volume. I believe the displayed points that
SASA can generate are just graphics objects, so if you are really keen
you can write a script and color them all yourself, but I think
quicksurf + color by volume is close to what you want with much less
fussing around.
Good luck!
-Josh Vermaas
On 01/09/2014 03:12 PM, Ricardo O. S. Soares wrote:
> Hello VMD users,
>
> I have an externally generated potential map (dx file) and I'd like to
> assign its MSMS representation to solvent accessible surface, instead
> of the default Connolly surface, but I can't figure a way to do that.
> (this is also cited here
> http://ibicluster.uchicago.edu/roll-documentation/apbs/tutorial/index.html#ftn.id442044).
>
> I know one can calculate "measure sasa" and then draw the points, but
> I can't figure it out if its possible to assign these points the
> colors of the electrostatic potential.
>
> Thanks,
>
> Ricardo.
>
>
>
> ---
> Biological Chemistry and Physics
> Faculty of Pharmaceutical Sciences at Ribeirão Preto
> University of São Paulo - Brazil
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