Subject: Re: CCL:autodock -active site

From: Simon Cross <[email-masked]>
Date: Sun, 15 Jul 2001 11:38:29 +0100 (BST)

Hi Johanna, can you just change the grid parameter file so that the 3D
cube only encompasses the active site? Then you will only be able to
search within this area.

-----------------------------------------

Simon Cross
School of Chemistry
University of Nottingham
tel. 0115 9514193
Email: [email-masked]

On Sat, 14 Jul 2001, Johanna Mazlo wrote:

> Dear CCL group,
> 
> Is there a way to specify the active site of the receptor in autodock?  I
> see a similar question was posted previously but not the answer.  I will
> post the answer.   Thank you
> 
> 
> Johanna Mazlo
> University of Nebraska
> Lincoln, NE 68588-0304
> 
> 
> 
> 
> -= This is automatically added to each message by mailing script =-
> [email-masked] -- To Everybody  | [email-masked] -- To Admins
> [email-masked] -- HELP CHEMISTRY or HELP SEARCH
> [email-masked] -- archive search    |    Gopher: gopher.ccl.net 70
> Ftp: ftp.ccl.net  |  WWW: http://www.ccl.net/chemistry/   | Jan: [email-masked]
> 
> 
> 
> 
> 
>