Dear friends,
My inquiry about such a program generated some reponses, I appreciate
all the help that you gave to me. Maybe just for the information side, I
summarize the responses here:
1. Commercial software seems to do what I sought to do, maybe even
further by working with databases. These software include ACD elucidator
from ACD labs, SpecMan/NMR-SAMS from Spectrum Research, and Assembleit
from Sciencesoft (www.sciencesoft.net).
2. Mort Munk at ASU has developed HOUDINI and SESAMI (J Chem Inf Comput Sci.
2003 Sep-Oct;43(5):1434-46). Phone: (480) 965-1288
Fax: (480)965-2747
E-mail: MMunk_at_asu.edu
3. A free alternative we have used here with some success id the LSD
program from Jean-Marc Nuzillard.:
http://www.univ-reims.fr/Labos/UPRESA6013/GNOSIE/LSD/
4. TOF-MS.
Most responses favors Structure Elucidator from ACD labs, but it is very
expensive (at least for me). I have not tried any of the above myself.
Best regards,
Wei.
Wei Li, Ph.D.
Assistant Professor and Director of NMR Facility
Department of Pharmaceutical Sciences
College of Pharmacy
University of Tennessee Health Science Center
847 Monroe Ave., room 327A
Memphis, TN 38163
901-448-7532 (Phone)
901-448-6828 (FAX)
Received on Mon Aug 08 2005 - 16:42:10 MST