Subject: Re: CCL:Software for mopac7

From: "Tamas E. Gunda" <[email-masked]>
Date: Thu, 7 Jun 2001 10:35:10 +0200

Hi,

Mol2Mol can do, it has an option to capture coordinates from MOPAC-type output files, and associate the structure with charges or other computed data, with a very little user editing of the original file.
Have a look at 
http://www.compuchem.com/mol2mol    for a general overlook

or  

http://www.klte.hu/~gundat/m2m/    and navigate here to Molfiles -> Z matrix etc

Dr Tamas E. Gunda
Research Group for Antibiotics of the Hungarian Acad. Sci.
University of Debrecen, POBox 36
H-4010 Debrecen, Hungary
tel.: (+36-52) 512 900/2472
fax: (+36-52) 512 914
e-mail: [email-masked]
home-page: www.klte.hu/~gundat/gunda.htm

----- Original Message ----- 
From: "Dr. Wolfgang Utz" <[email-masked]>
To: <[email-masked]>
Sent: Friday, June 01, 2001 5:33 PM
Subject: CCL:Software for mopac7

> Hi,
> 
> I'm looking for NT software which is able to read output files from mopac7.
> We are using Webmo on a linux box and would like to load the .out file 
> together with atomic charges into the program. Furthermore we would like to 
> graph MEPs from the charges.
> We have tested raswin, molekel, weblabviewer and we screened the ccl page 
> also.
> Could some of you give us some links?
> 
> Thankyou in advance
> 
> Wolfgang
> ***********************************************************************
> Dr. Wolfgang Utz                                    
> Department of Medicinal Chemistry
> Emil Fischer Center
> Friedrich-Alexander University                 
> Schuhstr. 19                                                 
> D-91052 Erlangen
> Germany                               
> Tel. 09131/8524100
> Fax  09131/8522585
> E-mail:[email-masked]
> http://www.medchem.uni-erlangen.de/personel/utz.htm
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