Subject: (Fwd) Beta-cyclodextrins

From: "Ralph Mcgregor" <[email-masked]>
Date: Wed, 4 Jun 1997 16:19:58 -0400

I wanted to state that some of the -OH groups are sulfated, rather than
sulfonated, and can form anionic groups.

--- Forwarded mail from "Jason Lye" <[email-masked]>

From: "Jason Lye" <[email-masked]>
Date: Wed, 4 Jun 1997 16:00:38 -0400
To: [email-masked]
Subject: Beta-cyclodextrins
Cc: [email-masked]

Dear Netters,

We are interested in modeling sulfonated beta-cyclodextrin molecules, and
specifically, we wish to plot the electrostatic potential around the molecules.
 Sulfonated beta-cyclodextrins are large systems, containing around 120 heavy
atoms (eg: a cyclodextrin with 14 sulfate groups is C42 H56 O63 S14)

We would like you recomendations as to packages that can handle computations of
electrostatic potential on molecules of this size.  We have SGI machines at our
disposal.

Thanks for your recomendations,

Jason

--

_______________________________________________________________________________

Jason Lye,                       |
Dye Synthesis Research Group,    |
College Of Textiles,  Box 8301,  |            "Lifes' cheap, but
North Carolina State University, |       the accessories will kill you!"
Raleigh, N.C. 27695 - 8301       |
                                 |
      Ph:   (919) 515-6615       |
      [email-masked]           |
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---End of forwarded mail from "Jason Lye" <[email-masked]>