From chemistry-request # - at - # server.ccl.net Fri Aug 2 06:23:04 2002 Received: from uni-kl.de ([131.246.137.52]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g72AN3f07736 for ; Fri, 2 Aug 2002 06:23:03 -0400 Received: from mailgate2.uni-kl.de (mailgate2.uni-kl.de [131.246.120.7]) by uni-kl.de (8.12.4/8.12.4) with ESMTP id g72AN2lZ012997; Fri, 2 Aug 2002 12:23:02 +0200 (MET DST) Received: from aixs1.rhrk.uni-kl.de (exim&$at$&aixs1.rhrk.uni-kl.de [131.246.137.3]) by mailgate2.uni-kl.de (8.12.5/8.12.5) with ESMTP id g72AN2VY021848; Fri, 2 Aug 2002 12:23:02 +0200 Received: from aixd1.rhrk.uni-kl.de ([131.246.137.210] ident=exim) by aixs1.rhrk.uni-kl.de with esmtp (Exim 4.04) id 17aZaG-000Kw6-00; Fri, 02 Aug 2002 12:23:00 +0200 Received: from gerwalin (helo=localhost) by aixd1.rhrk.uni-kl.de with local-esmtp (Exim 3.03 #5) id 17aZaF-000JzY-00; Fri, 02 Aug 2002 12:22:59 +0200 Date: Fri, 2 Aug 2002 12:22:59 +0200 (MES) From: Elmar Gerwalin To: Matt Zwier cc: chemistry[ AT ]ccl.net Subject: Re: CCL:Visualization of G98 normal modes In-Reply-To: <3D498360.9090902 -8 at 8- hope.edu> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hello Matt, > I'm working on looking at normal mode vibrations of fairly-complex dye > molecules. I'm currently using WebMO to view the FREQ calculation > output, and that works very well, but it cannot, for instance, animate > the motion of the molecule for each normal mode. Does anyone know of a > piece of software that can accomplish this? xvibs (simple "C" code, small binary, simply search thw www for it) can extract each normal mode from a g98 output and creates xyz-Files (which you can view with xmakemol or molden, e.g.) Bye Elmar ============================================================== Elmar Gerwalin , University of Kaiserslautern, Germany gerwalin $#at#$ rhrk.uni-kl.de (soon: ) http://www.rhrk.uni-kl.de/~gerwalin ==============================================================