From chemistry-request@server.ccl.net Thu Aug 16 02:41:31 2001 Received: from lancelot.imb-jena.de ([192.124.248.76]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f7G6fUv09886 for ; Thu, 16 Aug 2001 02:41:31 -0400 Received: (from pineda@localhost) by lancelot.imb-jena.de (SGI-8.9.3/8.8.8) id IAA88812; Thu, 16 Aug 2001 08:41:29 +0200 (CEST) From: pineda@imb-jena.de (Felipe Pineda) Message-Id: <10108160841.ZM74179@lancelot.imb-jena.de> Date: Thu, 16 Aug 2001 08:41:29 +0000 In-Reply-To: Robert.Guenther@ch.tum.de "CCL:Superimpose/Superposition cyclic peptides" (Aug 15, 7:53pm) References: <200108151753.TAA99443@xaver.org.chemie.tu-muenchen.de> X-Mailer: Z-Mail (3.2.3 08feb96 MediaMail) To: Robert.Guenther@ch.tum.de, chemistry@ccl.net Subject: Re: CCL:Superimpose/Superposition cyclic peptides Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Robert, i think commercial s/w packages like insightII or sybyl, you might have access to, would do that. in the worst case, by picking the atom pairs you would like to superimpose on each other. then, you can edit the script for repeated use or for modifications. i'm sure free academic modeling s/w like vmd, moilview and all the others would do that, as well. maybe some scripting could be necessary. for such kind of superpositions we use to take home made pieces of fortran code. hope it helps best regards felipe -- ********************************************************************** * Felipe Pineda,PhD * * Institut fuer Molekulare Biotechnologie * * AG Theoretische Biophysik * * Beutenbergstrasse 11, Jena Vox: +49-3641-65-6491 * * Postfach 100 813, D-07708 Jena, Germany Fax: -6495 * * web: www.imb-jena.de/~pineda * ********************************************************************** ********************************************************************** * DISCLAIMER: Unless indicated otherwise, everything in this note is * * my personal opinion, not an official statement of my employer * **********************************************************************