From owner-chemistry@ccl.net Fri Nov  4 06:32:00 2011
From: "Tamas Gunda tgunda2\a/puma.unideb.hu" <owner-chemistry===server.ccl.net>
To: CCL
Subject: CCL: Coordinate conversion program
Message-Id: <-45821-111102051438-26590-eXeb3Gw0lzi/L5RyWD4DFw===server.ccl.net>
X-Original-From: "Tamas Gunda" <tgunda2[a]puma.unideb.hu>
Content-Transfer-Encoding: 7bit
Content-Type: text/plain;
	format=flowed;
	charset="iso-8859-1";
	reply-type=original
Date: Wed, 2 Nov 2011 10:15:10 +0100
MIME-Version: 1.0


Sent to CCL by: "Tamas Gunda" [tgunda2\a/puma.unideb.hu]
Mol2mol can do it, too. It inputs in many formats and the Cartesian output 
can be set to angstrom, nanometer, bohr or polar coordinates
Look at : www.gunda.hu/mol2mol


Tamas Gunda

--------------------------------------------------
> From: "Bradley K Welch bwelch5(-)slu.edu" <owner-chemistry[A]ccl.net>
Sent: Tuesday, November 01, 2011 05:05 AM
To: "Gunda, Gunda " <tgunda2[A]puma.unideb.hu>
Subject: CCL: Coordinate conversion program

>
> Sent to CCL by: "Bradley  K Welch" [bwelch5|a|slu.edu]
> CCL readers,
>
> Does anyone know of a program that will convert bohr coordinates to 
> angstroms
> and vice versa? Is openbabel capable of it?
>
>
>
> Bradley Welch
> Saint Louis University
> Room 218>
>