Thanks Osvaldo for your suggestion .
I will work it out and let you know if any issues raises .
Regards
On Mon, Aug 24, 2015 at 5:17 PM, Osvaldo Martin <aloctavo...@gmail.com>
wrote:
> 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/
>>
>>
>>
>> ------------------------------------------------------------------------------
>>
>> _______________________________________________
>> PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
>> Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
>> Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
>>
>
>
--
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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