Subject: NBO Guide book

From: karakus <[email-masked]>
Date: Thu, 17 Feb 2000 13:32:44 +0200

To whom it may concern,

I am a graduate student of Chemistry Department of Bilkent University,
Ankara/Turkey. I felt the lack of an NBO Guide book which can help me in

my studies of Computational Chemistry. But I could not reach any. Is it
possible to gather information aboout this subject?

Yours sincerely

Huseyin Karakus

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From: Mikael Johansson <[email-masked]>
Date: Thu, 17 Feb 2000 15:53:50 +0200 (EET)

Hello All!

I just made a little utility to convert Turbomole aoforce output to a
"Gaussian94" output file, so that you can animate the calculated 
vibrations with for example Jmol 0.6.

If anyone thinks the proggie would be useful, feel free to download it,
it's freeware. It's written in Python, so you need a Python interpreter on
your system.
http://www.helsinki.fi/~mpjohans/aoforce2g94.py

I haven't tried the output files on any other molecular vibration
animators than Jmol, so if you find that it works for others why not let
me know. Other comments are also welcome.

Have a nice day,
    Mikael Johansson
    University of Helsinki
    [email-masked]