Re: [PyMOL] pml for apbs run with pymol

Hi DJ,

with little scripting experience, this might be challanging. However,
it's possible of course. The PSICO module has a "map_new_apbs" and a
"apbs_surface" function.

psico.electrostatics.apbs_surface
psico.electrostatics.map_new_apbs

http://pymolwiki.org/index.php/Psico

Hope that helps as a starting point.

Cheers,
  Thomas

Dhananjay wrote, On 04/23/14 04:02:
> Dear all,
> 
> Is there any way to use apbs through pml script.
> I have 40-50 pqr files and I wish to see them all in surface
> representation.
> However, default surface is not enough for me.
> Therefore, wish to run apbs.
> I want to make automated script to get apbs calculated surface
> representation.
> 
> Could any one suggest me how I can start.
> 
> I have little experience in writing .pml scripts.
> 
> Thank you in advance.
> 
> -- DJ

-- 
Thomas Holder
PyMOL
Schrödinger, Inc.