Subject: G:NMR evaluation for G98(incl.G94) with NMR-SHARC

From: Alk Dransfeld <[email-masked]>
Date: Wed, 10 Feb 1999 22:34:21 +0100 (NFT)

Dear CCLers,

the free skript to summarise your NMR results
from GAUSSIAN NMR calculations
into the compact NMR-SHARC format
has been updated from G94 to G98. 

Download from http://www.ccc.uni-erlangen.de/sharc/
or from  http://www.quantchem.kuleuven.ac.be/sharc/

- The g2s 2.0 skript (in PERL) automatically adjusts to 
  MacOS or UNIX/LINUX as computer platform

- The g2s 2.0 skript automatically distinguishes between
  G98 and G94 output files.

- The g2s 2.0 skript can be run as batch 
  within your GAUSSIAN submit skript.

The NMR-SHARC format is markup (ASCII). Files 
comprising one or more NMR-SHARC format summaries 
can be handled with MacSHARCivar or the cssharc/CACTVS
tools (download see above sites).

At this point I would like to thank all those
who helped by suggestions and requests 
to make this skript what it is.

With best regards

Alk Dransfeld

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