[Dock-fans] editing sphere_selector
sbrozell at scripps.edu
Fri Feb 8 18:29:22 PST 2008
On Thu, 7 Feb 2008, Ben Keshet wrote:
> 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
Yes. It would be straightforward to use another command
argument and fopen argv instead of selected_spheres.sph.
> the contributed code Sphere_select
> (http://dock.compbio.ucsf.edu/Contributed_Code/sphere_select.htm) allows the
> user to name the output file?
Yes. I think command option o defines the output filename.
> 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.
The simplest solution is to rename selected_spheres.sph via unix
command mv in your script or stuff each receptor into a subdirectory.
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