Bug#238452: [andrea@tasso.info: Bug#238452: ITP: lsd -- finds molecular structure from NMR data]
> 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
mbanck@debian.org
http://www.advogato.org/person/mbanck/diary.html
Reply to: