[Dock-fans] inquiry on Dock 6.2

Trent Balius tbalius at aol.com
Tue Nov 17 17:01:34 PST 2009

 Hi Ethel,

The parameter you should change is the following:

num_scored_conformers   10

Dock generates the same answers (for the same binary, on the same platform, and the same input file); so, rerunning dock will not help.

Note the cluster heads are diverse poses. You may wish to turn clustering off. 

see the manual for

Hope this helps,

Trent E. Balius
Graduate Student, Rizzo Group
Department of Applied Mathematics and Statistics,
Stony Brook University.
Office: Math Tower 3-129, Phone: (631) 632-8519


-----Original Message-----
From: ethel urzo <reau_05 at yahoo.com>
To: dock-fans at docking.org
Sent: Tue, Nov 17, 2009 6:31 pm
Subject: [Dock-fans] inquiry on Dock 6.2


May I know how can I run DOCK 6.2 so that it would give 10 results (interaction
is there any parameter in the DOCK synonymous to "number of runs/trials" which is adjustable?
Or I have to repeat the whole process 10 times just to obtain 10 results?
I am working with my undergraduate thesis and my adviser requires me 10 data for each ligand and then I'll get the mean..

Thank You.

Ethel Urzo

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