Subject: Tools for G94/Scian

From: [email-masked] (Laurent Joubert)
Date: Fri, 22 Nov 1996 11:38:08 +0200

Dear Netters,

You can now download 3 little academic programs, allowing to visualize some
G94 output files data with the freeware SciAn (visualization and animation
program).

- Transcube : convert G94 "CUBE" files to SciAn "STF" files, in order to
              visualize electronic density, electrostatic potential, or

              molecular orbitals.

- transfreq : convert G94 output files (with vibrationnal analysis), in order
              to visualize vibrationnal frequencies (as arrows) with SciAn.
              (you must have an "NFF" file (created with Molnff for
example) to
               visualize your molecule)

- Molnff : creates SciAn "NFF" file from a G94 output, in order to
visualize your molecule with SciAn
           (this is a first version, the next one (very soon !) will
automatize the molecule creation).

Here is the internet address : (please, send me an e-mail if you intend to
download them !) :

http://134.157.11.11/Pages/LECA/GP/Laurent/soft.html

Any comments are welcome.

Laurent Joubert

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*  Laurent JOUBERT (PhD student)                       *
*                                                      *
*  Ecole Nationale Superieure de Chimie de Paris       *
*  Laboratoire d'Electrochimie et de Chimie Analytique *
*  11, rue Pierre et Marie Curie                       *
*  75231 PARIS CEDEX 05- FRANCE                        *
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*  Tel : 44-27-66-94                                   *
*  Fax : 44-27-67-50                                   *
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*  E-Mail : [email-masked]                     *
*  http://www.enscp.jussieu.fr                         *
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