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 <jalem...@vt.edu <mailto:jalem...@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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