[Dock-fans] question about chemical score

Terry Lang terry at cgl.ucsf.edu
Thu Feb 24 18:13:59 PST 2005


Dear Aini,

   Chemical score has not been implemented in DOCK 5, and there are no 
current plans to change this.  It was implemented in DOCK 4 to allow the 
user to account for some aspects of solvation effects.  There are 
instructions on how to use it in the DOCK 4 manual.  However, it was not 
tested very thoroughly and should be used at your own risk.  DOCK 5 
currently has an implementation of GB/SA to account for more complicated 
solvation effects and will include PB/SA in release 5.3.

Sincerely,
Terry


At 06:28 AM 2/23/2005, NI AI wrote:
>Hello, DOCKers!
>
>   I am a new users for DOCK. The version I am using now is DOCK5.1.1. I 
> have a
>question about chemical score. I find it the manual for DOCK 4.0. However it
>doesn't show in the manual of DOCK5.1.1. Is it still functional? And How to
>use it? Thanks for the help!
>
>aini
>
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>Dock-fans at docking.org
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***NOTE:  This is a new e-mail address (terry at cgl.ucsf.edu)  Please update 
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P. Therese (Downing) Lang
Kuntz and James Labs
UCSF - CCB Graduate Program
Phone:  (415)476-3986




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