Subject: polysaccharides

From: <[email-masked]>
Date: Mon, 16 Jan 1995 17:10:34 +0100

Dear all, I am interested in receiving information on programs that are useful
in predicting the properties of polysaccharides in aqueous solution. I am
interested in properties such as gel formation
I will summarise for the group any replies

Paul Heelis
North East Wales Institute
e-mail [email-masked]

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From: Steven Schafer <[email-masked]>
Date: Mon, 16 Jan 1995 14:27:00 -0500 (EST)

> e-mail [email-masked]

Mr. Heelis,

	I work with professor Eugene Stevens at the State University of New 
York.  We employ a coupled-oscillator model [1,2] for calculating the 
[M]D rotation of mono and polysaccharides.  The source code, fortran, 
for this program, MOLROT, is freely availible through us.  With the use 
of a molecular mechanics, dynamics, or ab initio program conformations 
can be generated for input into MOLROT.  We have succesfully used MOLROT 
with numerous monosacharides and dimers, and we also have a paper 
submitted for publication on, A Reexamination of the Double-Helix Model 
For Agarose Gels Using Optical Rotation, that you may be interested in.  
If you have any interest in MOLROT let me know, and I can put you into 
direct contact with professor Stevens.

	Hope this helps,

	Steven E. Schafer
        [email-masked]
	S.U.N.Y. Binghamton Chemistry Department
	Binghamton, New York	

P.S. You can also check out professor Stevens's homne page on our WWW 
site at:  http://chemiris.chem.binghamton.edu:8080

	1.  Stevens, E. S.; Sathyanarayana, B. K. Carbohydr. Res. 1987 166, 
	    181-193.
	
	2.  Stevens, E. S.; Sathyanarayana, B. K. J. Am. Chem. Soc. 1989, 
	    111, 4149-4154