[Dock-fans] hi

Trent E. Balius tbalius at aol.com
Wed Jul 21 06:15:27 PDT 2010

Hi Pawan,

See the following sections of the manual:




The grid is used to speed up the energy calculation from O(n*m) where n is the number of atoms in the ligand and m is the number of atoms in the receptor to O(n*8) because you only look at the closed 8 grid points (there are 8 point on a cube).

I 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
URL: http://www.ams.sunysb.edu/~tbalius/



-----Original Message-----
From: Pawan Gupta <pawanguptainfo at yahoo.co.in>
To: dock6 FAQ <dock-fans at mailman.docking.org>
Sent: Wed, Jul 21, 2010 6:16 am
Subject: [Dock-fans] hi

what is the grid score in Dock6?
what is the vander waal score in Dock6?

How grid score can correlate with electrostatics and vander wal score?

i did not find detailed information about scoring functions in DOCk6 program

thanks in advance


Dock-fans mailing list

Dock-fans at mailman.docking.org


-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://mailman.docking.org/pipermail/dock-fans/attachments/20100721/c4bd51e5/attachment.html 

More information about the Dock-fans mailing list