[Dock-fans] showsphere

William Joseph Allen william.joseph.allen at gmail.com
Thu Nov 8 07:28:37 PST 2012


Hi Calvin,

What are the contents of sphgen_cluster.in? The first question after
executing showsphere is expecting a sphere cluster file (.sph extension).

Joe Allen




On Thu, Nov 8, 2012 at 10:22 AM, Calvin F. Cahall
<calvin.cahall at centre.edu>wrote:

> Hello,
>
> I am having problems with the "showsphere" command working through sphere
> generation dock tutorial. After using the "sphgen" command to create the
> OUTSPH and rec.sph files, I then tried this.
> $ showsphere
>  Enter name of sphere cluster file:
> sphgen_cluster.in
>  Enter cluster number to process (<0 = all): 1
>  Generate surfaces as well as pdb files (<N>/Y)? Y
>  Enter name for output PDB file name:
> sphgen_cluster.pdb
>  Enter name for output surface file name:
> sphgen_cluster.out
>
>  Error!  Cluster not found: 1
>
> I read an email of someone having the same problem and the suggestion was
> to check the rec.sph file to ensure that the cluster name was indeed "1". I
> have done so as well as checked to be sure that my rec.sph file is that
> same as in the tutorial, which was another suggestion.
> Any help would be great!
>
> Calvin
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>



-- 
William Joseph Allen, Ph.D.
Robert C. Rizzo Research Group
Department of Applied Mathematics and Statistics
Stony Brook University
http://ringo.ams.sunysb.edu/~wjallen/
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