[Dock-fans] GB/SA parameters

Terry Lang terry at cgl.ucsf.edu
Mon Aug 8 12:02:09 PDT 2005


Dear Oshik,

          For the accessory programs for GB/SA, there is a README text 
file in the directory /utilities/GBSA_Grids.  This file contains 
directions and parameters for the nchemgrid_GB and the nchemgrid_SA 
scripts.  Once these programs have been successfully run, you can run 
DOCK.  The parameters for GB/SA in the dock.in file are fairly self 
explainatory but there is a bit of documentation in the DOCK 5 manual at 
http://dock.compbio.ucsf.edu/DOCK_5/index.htm.

Good luck and let me know if you have any more questions,
Terry

oshikseg at post.tau.ac.il wrote:

>Hello dock-fan's!
>Can anyone tell me more or to refer me to reasonable  documentation about GB/SA,
>so I can put the right parameters in the "dock.in" file.
>best regards
>Oshik Segev
>
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-- 
P. Therese Lang
Kuntz and James Labs
UCSF--Chemistry and Chemical Biology
Phone: (415)476-3986

 





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