[Dock-fans] editing sphere_selector

John J. Irwin jji at cgl.ucsf.edu
Sat Feb 9 06:57:45 PST 2008

Hi Ben

You are of course entitled to do whatever you want. My free advice is to 
pick up "learning python" or "learning perl", or even "man csh", and 
teach yourself how to write basic scripts. The investment will repay 
itself many times over. Renaming a file is among the easier tasks you 
are likely to face.

/bin/mv file1 file2

which is easy to invoke from python, perl, ksh, csh, and so on.

Good luck


Ben Keshet wrote:
> Hi,
> Does anyone know if there is an easy way to slightly edit the 
> sphere_selector application such that the output file is not always 
> selected_spheres.sph, but instead is a user defined?   Does anyone 
> know if the contributed code Sphere_select 
> (http://dock.compbio.ucsf.edu/Contributed_Code/sphere_select.htm) 
> allows the user to name the output file?  
> I want to run dock using a script that runs on several receptors and 
> different binding sites, and that would save me renaming the spheres 
> files manually.  I have only basic programming skills and knowledge, 
> so please take that into account if you have a suggestion for me.
> Thanks for your time,
> Ben
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