Path: utzoo!attcan!uunet!bu.edu!husc6!macferrin@slsvax.harvard.edu
From: macferrin@slsvax.harvard.edu (Kurtis MacFerrin)
Newsgroups: comp.sys.sgi
Subject: Re: NMR Molecular Modeling
Message-ID: <3226@husc6.harvard.edu>
Date: 15 Jun 90 19:40:19 GMT
Sender: news@husc6.harvard.edu
Organization: Schreiber Group (Harvard Chemistry Department)
Lines: 7

In article <9006141833.AA08245@remote.dccs.upenn.edu>, GOLUB@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.