Return-Path: <r.e.oakes@btconnect.com>
Message-Id: <200404060639.i366cQer027848-.at.-pickering.cc.nd.edu>
From: "Roma Oakes" <r.e.oakes-.at.-btconnect.com>
To: chemistry-.at.-ccl.net
Subject: generating xmol files with G03
Date: Tue, 6 Apr 2004 07:38:12 +0100


Dear all

For a few years now I have used the 'xvibs' or 'vibread' programmes to
generate xmol (xyz files that contain the vibrational info) files so that I
can generate mpegs of vibrations with the gOpenMol programme.

I've just realised that these programmes don't work with G03 output files!!
Does anyone know of a way to generate these files? 

Hope someone can help

Regards

Roma


Dr R E Oakes
School of Chemistry
Queen's University Belfast
visit my webpage at;
http://home.btconnect.com/reoakes/



From chemistry-request@ccl.net Tue Apr  6 09:32:56 2004
Received: from atom.chem.iupui.edu (atom.chem.iupui.edu [134.68.137.125])
	by server.ccl.net (8.12.8/8.12.8) with ESMTP id i36EWtjR012612
	for <chemistry^at^ccl.net>; Tue, 6 Apr 2004 09:32:55 -0500
Received: from chem.iupui.edu (in-137-124.dhcp-134-68.iupui.edu [134.68.137.124])
	by atom.chem.iupui.edu (Postfix) with ESMTP
	id 08EB8795B01; Tue,  6 Apr 2004 09:41:41 -0500 (CDT)
Message-ID: <4072CF17.4A9B7E18^at^chem.iupui.edu>
Date: Tue, 06 Apr 2004 09:39:04 -0600
From: "Boyd, D." <boyd^at^chem.iupui.edu>
X-Mailer: Mozilla 4.75C-CCK-MCD {C-UDP; EBM-APPLE} (Macintosh; U; PPC)
X-Accept-Language: en
MIME-Version: 1.0
To: CCL <chemistry^at^ccl.net>, CHMINF-L <chminf-l^at^listserv.indiana.edu>,
   QSAR & Modelling Society <qsar_society^at^accelrys.com>
Subject: last call for absracts for Indianapolis ACS meeting
Content-Type: text/plain; charset=us-ascii; x-mac-type="54455854"; x-mac-creator="4D4F5353"
Content-Transfer-Encoding: 7bit
X-Spam-Status: No, hits=0.0 required=5.0 tests=none autolearn=no version=2.61
X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on 
	servernd.ccl.net

Dear Colleagues,

The 36th Central Regional American Chemical Society Meeting
will be held in Indianapolis, June 2-4, 2004, at the
University Place Executive Conference Center and Hotel.
Speakers from across the U.S. and world will be attending.

This is the last call for abstracts to be submitted to
http://membership.acs.org/c/cerm2004/
Abstracts must be submitted by the end of this week.
Papers in any area of computational chemistry, modeling,
or design are invited.

The meeting is open to all, but should be of particular
interest to computational chemists in Indiana, Michigan,
Ohio, West Virginia, and western Pennsylvania, as well as
Illinois and Kentucky.  I hope to see many of you in June.

Thanks, Don

Donald B. Boyd, Ph.D.
Research Professor of Chemistry
Indiana University-Purdue University at Indianapolis
E-mail boyd^at^chem.iupui.edu



