[Chimera-users] Calculating Solvent Accessible Surface of individual residue in a model
Elaine Meng
meng at cgl.ucsf.edu
Fri Dec 10 09:49:00 PST 2010
Hi Harjanto,
Yes, it is automatically calculated as soon as you show a surface. SAS and SES areas are "attributes" of atoms and residues. After you show a surface, you can see histograms of the values and save them to a file using Render by Attribute (under Tools... Structure Analysis).
<http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/render/render.html#render>
You can select just the residues with some range of SAS values using Select by Attribute, which is another part of that same tool.
<http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/render/render.html#select>
Please see this previous post for more details:
<http://plato.cgl.ucsf.edu/pipermail/chimera-users/2010-October/005693.html>
I hope this helps,
Elaine
-----
Elaine C. Meng, Ph.D.
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
On Dec 9, 2010, at 11:07 PM, Sumitro Harjanto wrote:
> Hi Meng,
> I would like to find out if I can use Chimera to calculate the solvent accessible surface(SAS) of each residue in a model..? I would like to find out, basically, if I show the surface of the molecule, which are the residues buried (SAS = 0) and which are the ones contributing to the surface contour (SAS > 0).
> Thanks! =]
> Cheers,
> Sumitro
>
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