CCL:G: Converting Gaussian .log NMR output to .jdx format
- From: allouche <allouche!^!lasim.univ-lyon1.fr>
- Subject: CCL:G: Converting Gaussian .log NMR output to .jdx
format
- Date: Tue, 06 Apr 2010 08:59:14 +0200
Sent to CCL by: allouche [allouche=lasim.univ-lyon1.fr]
Dear Robert,
Gabedit can simulate a NMR spectrum using the chemical shift and the
spin-spin coupling
parameters calculated by Gaussian (or any other computation chemistry
packages).
The simulated NMR spectrum can be compared to the experimental spectrum
(read from a jdx or a jMRUI file format).
After simulation, you can save the curve in a txt file (2 columns).
Gabedit is a free open source.
You can download it from : http://gabedit.sourceforge.net
Best regards,
A.R. Allouche
--
Abdul-Rahman ALLOUCHE
Fax : + (33) (0) 472431507
Email : allouche|-|lasim.univ-lyon1.fr
Web : http://sites.google.com/site/allouchear/
Sent to CCL by: "Robert V. Kolakowski" [robertk-*-scripps.edu]
Good Day,
Has anyone out there found an off the shelf solution for
converting Gaussian *.log NMR output to the universal
*.jdx format?
I'm trying to visualize calculated spin-spin couplings.
Any help would be welcome.
Cheers,
Robert V. Kolakowski, Ph.D.
The Scripps Research Institute
La Jolla, CA, 92037
robertk],[scripps.edu