ADL: cluster analysis of different dlg files
forli at scripps.edu
Thu Jun 18 14:14:01 PDT 2009
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,
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!
> DICP WebMail, http://webmail.dicp.ac.cn
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Stefano Forli, PhD
Olson Molecular Graphics Laboratory
Dept. Molecular Biology, MB-5
The Scripps Research Institute
10550 North Torrey Pines Road
La Jolla, CA 92037-1000, USA.
tel: (858) 784-2055
fax: (858) 784-2860
email: forli at scripps.edu
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