CCL:G: Converting Gaussian .log NMR output to .jdx format



 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