[gmx-users] residue SASA

[Justin A. Lemkul]

ahmet yıldırım wrote:
> There are hydrophilic and hydrophobic SASA values versus simulation time 
> in the output file (area.xvg). I want to hydrophilic and hydrophobic 
> SASA values versus residue.
> 

That's not implemented, but it would probably be rather easy to modify the code 
to do so.

-Justin

> 2011/7/7 Justin A. Lemkul <jalemkul at vt.edu <mailto:jalemkul at vt.edu>>
> 
> 
> 
>     ahmet yıldırım wrote:
> 
>         Dear users,
> 
>         I want to calculate hydrophilic and hyrophobic SASA value of
>         each residue in protein. I used a command as the following:
> 
>         g_sas -f run.xtc -s run.tpr -or protein_protein.xvg
>         Select a group for calculation of surface and a group for output
>         select a group: 1 (protein)
>         select a group: 2 (protein)
> 
>         But there is SASA value of each residue in the output file. How
>         can I seperate the residues as a hydrophilic and hyrophobic SASA?
> 
> 
>     This is already in the output file.  Check the legends of area.xvg
>     and you will see.
> 
>     -Justin
> 
>     -- 
>     ==============================__==========
> 
>     Justin A. Lemkul
>     Ph.D. Candidate
>     ICTAS Doctoral Scholar
>     MILES-IGERT Trainee
>     Department of Biochemistry
>     Virginia Tech
>     Blacksburg, VA
>     jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
>     http://www.bevanlab.biochem.__vt.edu/Pages/Personal/justin
>     <http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
> 
>     ==============================__==========
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> 
> 
> -- 
> Ahmet YILDIRIM

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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