NMR Molecular Modeling

[Kurtis MacFerrin]

In article <9006141833.AA08245 at remote.dccs.upenn.edu>, GOLUB at PENNDRLS.UPENN.EDU (Ellis Golub) writes...
>Does anyone know of a program, running on an IRIS which can determine
>molecular structure from 13C NMR data (chemical shift, Jcc 1,2 & 3 bond)?

Yes, there are several. Two that I know about were written by David Hare of
Hare Research, Washington. They are called ftnmr and felix. I belive BioGraf
in California makes a program called nmrgraf.