ADL: cluster analysis of different dlg files

Stefano Forli forli at scripps.edu
Thu Jun 18 14:14:01 PDT 2009


Hi Emilia,

you can cluster many dlg's by copying them in a single directory and using the ADT interface:

Analyze->Dockings->Open all... [to load the files]

Analyze->Clustering->Recluster [to re-cluster them accordingly to given RMS tolerance]

Hope this helps,

Stefano



emiliawu at dicp.ac.cn wrote:
> Hi all,
> 
> Is there any way to do the cluster analysis for different dlg files. I just want to split 200 docking run to different computers to make it faster, but I am wondering how can I get the cluster information after all the jobs done.
> Thanks you very much!
> 
> Emilia
> 
> ___________________________________
> DICP WebMail, http://webmail.dicp.ac.cn
> 
> 
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-- 
  Stefano Forli, PhD

  Research Associate
  Olson Molecular Graphics Laboratory
  Dept. Molecular Biology,  MB-5
  The Scripps Research Institute
  10550  North Torrey Pines Road
  La Jolla,  CA 92037-1000,  USA.

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     fax: (858) 784-2860
     email: forli at scripps.edu


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