From panc@isc.kyushu-u.ac.jp Wed Aug 6 00:15:49 1997 Received: from ryugaku.isc.kyushu-u.ac.jp for panc@isc.kyushu-u.ac.jp by www.ccl.net (8.8.3/950822.1) id XAA01511; Tue, 5 Aug 1997 23:55:53 -0400 (EDT) Received: from [133.5.200.108] ([133.5.200.108]) by ryugaku.isc.kyushu-u.ac.jp (8.7.5/3.4W4) with SMTP id MAA11300; Wed, 6 Aug 1997 12:54:57 +0900 (JST) Message-Id: <199708060354.MAA11300@ryugaku.isc.kyushu-u.ac.jp> X-Mailer: Macintosh Eudora Pro Version 2.1.4-J Mime-Version: 1.0 Content-Type: text/plain; charset="ISO-2022-JP" Date: Wed, 6 Aug 1997 12:57:24 +0900 To: "Kah-Tong, Seow" , chemistry@www.ccl.net From: panc@isc.kyushu-u.ac.jp (Canping Pan) Subject: Re: CCL:G: autodock2.4 on MKlinux Swiss-PDB viewer is perhaps your choice. It's free, easy to use, can do homology on-line. http://expasy.hcuge.ch/spdbv/mainpage.html (SWITZERLAND) http://www.pdb.bnl.gov/expasy/spdbv/mainpage.html (UNITED STATES) At 11:32 AM 97.8.6, Kah-Tong, Seow wrote: > I am looking for a program which will produce protein's secondary structure > topology ( arrangement of alpha helix, beta sheets in 2D representation ) I > am not sure what program does it. Any advice? Thank you > > Kah Tong -- Canping Pan http://133.5.200.42/pan.html pan@canping.forum.or.jp -- From inge.muszynski@uni-tuebingen.de Wed Aug 6 04:15:53 1997 Received: from outmail.zdv.uni-tuebingen.de for inge.muszynski@uni-tuebingen.de by www.ccl.net (8.8.3/950822.1) id EAA02338; Wed, 6 Aug 1997 04:13:29 -0400 (EDT) Received: from mailserv.uni-tuebingen.de by outmail.zdv.uni-tuebingen.de (4.1/ZDV-Uni-Tuebingen-1.0) id AA09811; Wed, 6 Aug 97 10:13:19 MES Received: from commlink.zdv.uni-tuebingen.de by mailserv.uni-tuebingen.de with SMTP (PP); Wed, 6 Aug 1997 10:13:13 +0200 Received: from apollo.pharm.chemie.uni-tuebingen.de (apollo.pharm.chemie.uni-tuebingen.de [134.2.68.23]) by commlink.zdv.uni-tuebingen.de (8.6.12/8.6.12) with SMTP id KAA14408 for ; Wed, 6 Aug 1997 10:13:13 +0200 Date: Wed, 6 Aug 1997 10:13:13 +0200 Message-Id: <199708060813.KAA14408@commlink.zdv.uni-tuebingen.de> X-Sender: cpcmu01@mailserv.uni-tuebingen.de X-Mailer: Windows Eudora Light Version 1.5.2 Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: chemistry@www.ccl.net From: Inge Muszynski Subject: MEP overlap Dear CCLers, Does anyone know a program that can align molecules by overlapping their MEP's respectively their steric volumes? Many thanks in advance. Inge Muszynski Pharmaceutical Institute University of Tuebingen Auf der Morgenstelle 8 72076 Tuebingen From d.j.wild@sheffield.ac.uk Wed Aug 6 07:15:53 1997 Received: from pp2.shef.ac.uk for d.j.wild@sheffield.ac.uk by www.ccl.net (8.8.3/950822.1) id GAA02720; Wed, 6 Aug 1997 06:53:26 -0400 (EDT) Received: from ramsley.shef.ac.uk [143.167.103.254] by pp2.shef.ac.uk with esmtp (Exim 1.62 #12) id 0ww3iW-0002cB-00; Wed, 6 Aug 1997 11:53:24 +0100 Received: from RAMSLEY/MAILQUEUE by ramsley.shef.ac.uk (Mercury 1.21); 6 Aug 97 11:53:27 +0100 Received: from MAILQUEUE by RAMSLEY (Mercury 1.30); 6 Aug 97 11:53:17 +0100 From: "David Wild" To: chemistry@www.ccl.net, Inge Muszynski Date: Wed, 6 Aug 1997 11:53:11 +0100 Subject: Re: CCL:MEP overlap Reply-to: D.J.Wild@sheffield.ac.uk Priority: normal X-mailer: Pegasus Mail for Windows (v2.42a) Message-ID: <5107D023D6D@ramsley.shef.ac.uk> Hi > Does anyone know a program that can align molecules by overlapping their > MEP's respectively their steric volumes? Many thanks in advance. I have written a program called FBSS that will align molecules by their MEP, electron density (i.e. steric), and hydrophobic (MLP) fields. It takes and produces SYBYL MOL files, and uses a GA to do the alignment. Some sketchy details are on my web page (see below). Please contact me if you're interested. Cheers David Wild __________________________________________________ Dr. David Wild, Computational Chemistry Group, Department of Information Studies, University of Sheffield, Sheffield S10 2TN, U.K. Tel +44-(0)114 22 22669, Fax +44-(0)114 278 0300 Email D.J.Wild@sheffield.ac.uk http://panizzi.shef.ac.uk/cisrg/davewild/davewild.html