[Dock-fans] System resouces for virtual screening

Le Tien Dung letiendzung at yahoo.com
Wed Oct 19 16:56:34 PDT 2005

Dear Dock-fans,


I am learning to use DOCK in virtual screening, still not succeeded with the Sphere generator yet, but I am wondering if a Labtop, pentium 4, win XP (Dell) could handle this job? If yet howlong it will take? I read Irwin's paper on Biochemistry and see them running in days to a week on a workstation. 


If I have only the above mention system, is it possible for me to run virtual screening? even with just a subset of the ZINC or NCI database?


Thank you for your time




By the way, I applied all the patches and still got Segmentation Fault when I run SPHGEN with the demo rec.ms, I would appreciate if someone here could give me some suggestions.

(I have reduced the surface file of my own to less than 1/4 of the size of rec.ms but still fail)

Le Tien Dung, PhD

The Microbial Function Laboratory
National Food Research Institute (NFRI)
Kannondai 2-1-12, Tsukuba, Ibaraki 305-8642 - JAPAN

E-mail: ledt at affrc.go.jp 
URLs: http://www.nfri.affrc.go.jp & http://www.cynosura.org (personal)


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