From chemistry-request: at :server.ccl.net Wed Mar 19 02:36:23 2003
Received: from [195.229.145.1] ([195.229.145.1])
	by server.ccl.net (8.11.6/8.11.0) with SMTP id h2J7aKw20400
	for <chemistry \\at// ccl.net>; Wed, 19 Mar 2003 02:36:22 -0500
Received: from no.name.available by [195.229.145.1]
          via smtpd (for server.ccl.net [192.153.40.39]) with SMTP; Wed, 19 Mar 2003 11:27:35 +0400
Received: from FSD1G1D (gwd1b1h.zu.ac.ae [10.10.0.23])
	by macsmtp.zu.ac.ae (8.12.5/8.12.5) with ESMTP id h2J7PXts008843
	for <chemistry&$at$&ccl.net>; Wed, 19 Mar 2003 11:25:34 +0400
Received: from EMBADOMAIN-MTA by FSD1G1D
	with Novell_GroupWise; Wed, 19 Mar 2003 11:34:25 +0400
Message-Id: <se7855c1.065 |-at-| FSD1G1D>
X-Mailer: Novell GroupWise Internet Agent 6.0
Date: Wed, 19 Mar 2003 11:33:45 +0400
From: "Iman Boukhobza" <Iman_boukhobza.,at,.zu.ac.ae>
To: "<"<chemistry ":at:" ccl.net>
Subject: File conversion
Mime-Version: 1.0
Content-Type: text/plain; charset=US-ASCII
Content-Disposition: inline
Content-Transfer-Encoding: 8bit
X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id h2J7aNw20401

Hello every body

I am using Mopac to do conversion from atomic coordinates to a z-matrix format

My question is:

Are the bond length obtained after conversion accurate? 

I have the bond length from crystallographic data and what I really need are the angles and in specific dihedral angles.

Thus, does anybody use these conversions before?

Your help is very much appreciated

Iman