> Package: wnpp > Severity: wishlist > > lsd finds chemical structure from NMR data > Licence: GPL > about lsd: http://www.univ-reims.fr/Labos/UPRESA6013/GNOSIE/LSD/index.html > download lsd: > http://www.univ-reims.fr/Labos/UPRESA6013/GNOSIE/LSD/LSD-3.1.6.tar.gz > > The aim of the LSD program is to find all possible molecular > structures of an organic compound that are compatible > with its spectroscopic data. > > Structure building relies on connectivity data found in 2D NMR > spectra, without any reference to a chemical shift database. > Molecular structures containing up to 50 non-hydrogen atoms were > investigated by means of the LSD program.
Sounds pretty interesting. I can sponsor you if you are in need of one. cheers, Michael -- Michael Banck Debian Developer [EMAIL PROTECTED] http://www.advogato.org/person/mbanck/diary.html
