From chemistry-request@server.ccl.net Sun Jul 15 06:38:38 2001 Received: from pat.ccc.nottingham.ac.uk ([128.243.40.194]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f6FAcc532369 for ; Sun, 15 Jul 2001 06:38:38 -0400 Received: from gotham.ccc.nottingham.ac.uk ([128.243.40.48]) by pat.ccc.nottingham.ac.uk with esmtp (Exim 3.20 #2) id 15LjI6-0000Fd-00; Sun, 15 Jul 2001 11:38:22 +0100 Received: from granby ([128.243.40.43] helo=granby.ccc.nottingham.ac.uk) by gotham.ccc.nottingham.ac.uk with esmtp (Exim 3.20 #2) id 15LjID-0006dz-00; Sun, 15 Jul 2001 11:38:29 +0100 Date: Sun, 15 Jul 2001 11:38:29 +0100 (BST) From: Simon Cross X-Sender: pcxsc@granby.ccc.nottingham.ac.uk To: Johanna Mazlo cc: chemistry@ccl.net Subject: Re: CCL:autodock -active site In-Reply-To: Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII 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: pcxsc@nottingham.ac.uk 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 =- > CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To Admins > MAILSERV@ccl.net -- HELP CHEMISTRY or HELP SEARCH > CHEMISTRY-SEARCH@ccl.net -- archive search | Gopher: gopher.ccl.net 70 > Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl@ccl.net > > > > > >