Circular Dichroism, software for

Bill Melchior wmelchior at ntet.nctr.fda.gov
Mon Mar 15 10:42:33 EST 1993

In article <1ntrnbINNfa7 at shelley.u.washington.edu>, 
jcort at carson.u.washington.edu (J Cort) writes:
> In J. Org. Chem 54, 6047-6055  (1989), S. Wilson and W.Cui discuss two
> programs they developed which are used to predict CD (Circular Dichroism)
> behavior of molecules based on their structure, including molecules with
> conformational mobility.  The article saya theat these programs were to
> be included with a larger package of molecular modeling software called
> MODEL.  MODEL is said to be the creation of a Dr. Kosta Steliou at the 
> University of Montreal, and the two CD modules of this package are called
> CDexpert and Relate.
> 1.  Is MODEL a piece of commercially available software, and if so who
> distributes it, or is it in the public domain and if so can it be obtained
> by anonymous ftp?  Does anyone have any comments regarding this software,
> particularly these CD modules?

In 1988, after meeting Steliou, I got MODEL from Dr. Kevin E. Gilbert,
Serena software in Indiana, for $195.  At that time (before the article
cited above), there was no CD module. 

NETFIND, confirmed with FINGER, found Gilbert at
gilbert at ucs.indiana.edu

In 1988, the phone number for Serena Software was (812) 335-1302.
Views expressed are not necessarily those of NCTR, its sponsoring agencies,
or the United States government.

Bill Melchior                                ||       MISSING LINK
National Center for Toxicological Research   ||    Man's a kind
Jefferson, AR  72079                         ||    of Missing Link,
(501) 543-7206                               ||    fondly thinking
                                             ||    he can think.
WMELCHIOR at NTET.NCTR.FDA.GOV                  ||       from Grooks, by Piet Hein

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