[Dock-fans] Energy score interpretation

Terry Lang terry at cgl.ucsf.edu
Wed Oct 12 17:14:46 PDT 2005


Dear Aalok,

          Have you applied all of the bug fixes?  They can be found at 
http://dock.compbio.ucsf.edu/DOCK_5/DOCK_bugfixes.htm.  The result you 
are getting is similar to some we saw in the pre-fixed versions.

Sincerely,
Terry


Aalok Nadkar wrote:

>Hi all,
>
>I got this result from my docking run.
>Can somebody help me interpret it?  All the values I have seen are much higher.
>Am I missing something?
>
>RMSD:		31.1563
>########## Energy Score:       -19067.902954
>##########          vdw:         1743.725952
>##########           es:       -20811.628906
>
>
>Thank you,
>
>Aalok Nadkar
>
>Aalok Nadkar
>Research Engineering Associate
>Chemistry and Biochemistry
>University of Texas at Arlington
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>Dock-fans mailing list
>Dock-fans at docking.org
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>  
>

-- 
P. Therese Lang
Kuntz and James Labs
UCSF--Chemistry and Chemical Biology
Phone: (415)476-3986

 





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