Dear Vinod,
One option is to call PyMOL function from Python script.
import __main__
__main__.pymol_argv = ['pymol','-qc']
import pymol
from pymol import cmd, stored
pymol.finish_launching()
cmd.set('dot_solvent', 1)
cmd.set('dot_density', 3)
cmd.load('pdb.file') # use the name of your pdb file
stored.residues = []
cmd.iterate('name ca', 'stored.residues.append(resi)')
sasa_per_residue = []
for i in stored.residues:
sasa_per_residue.append(cmd.get_area('resi %s' % i))
print sum(sasa_per_residue)
print cmd.get_area('all') # just to check that the sum of sasa per residue
equals the total area
Please let us know if you have doubts about the above script.
Cheers,
Osvaldo.
On Mon, Aug 24, 2015 at 3:46 AM, Vinod Devaraji <
vinod.devar...@schrodinger.com> wrote:
> Hi All
>
> I doing one task with pymol where I need to calculate Solvent Accessible
> Surface Area for individual residues numbers.
>
> I tried with get_area command but little confused on how to put it for
> individual residues .
>
>
> Could any one please suggest command or script to do it ?
>
> Any suggestions or comments would be highly appreciated .
>
>
> Regards
>
>
> --
> Please feel free to call me or mail me
>
> Thanks and Regards
>
> Vinod.D M.Pharm.
> Junior Applications Scientist
> Mobile no:+91-9900090044
>
> http://www.schrodinger.com/
>
>
>
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>
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