This is what I mean by "quick and dirty".
#!/bin/bash
# Reads the output of "g_sas" per residue (-or) and writes only the residues
you want.
# Diego E.B. Gomes, Roberto D. Lins, Pedro G. Pascutti, Thereza A. Soares
# mailto: di...@biof.ufrj.br
#1 ) To perform multiple g_sas (will write out
There's a quick & dirty workaround. You can write a script to "g_sas" each
frame individually, writing many output files. Then grab the results from there.
Sent from my iPhone
On Jul 7, 2011, at 9:17 PM, "Justin A. Lemkul" wrote:
>
>
> ahmet yıldırım wrote:
>> There are hydrophilic and hydr
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.
-Just
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.
2011/7/7 Justin A. Lemkul
>
>
> ahmet yıldırım wrote:
>
>> Dear users,
>>
>> I want to calculate hydrophilic and hyrophobic SA
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 (
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 (
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