From owner-chemistry@ccl.net Sat Oct 15 15:48:01 2005
From: "Tell Tuttle tell.tuttle*gmx.net" <owner-chemistry(a)server.ccl.net>
To: CCL
Subject: CCL: Cremer & Pople Fortran source
Message-Id: <-29621-051015123528-13766-kiEfkebHFd61QOx/G0NPzQ(a)server.ccl.net>
X-Original-From: Tell Tuttle <tell.tuttle_-_gmx.net>
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Date: Sat, 15 Oct 2005 17:32:25 +0200
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Sent to CCL by: Tell Tuttle [tell.tuttle{=}gmx.net]
Dear Rick,

The program RING, written by Cremer, can be downloaded from the QCPE. It can
do what you need.

Regards,
Tell

-----------------------------------------------
Dr. C. T. Tell Tuttle
Max-Planck-Institut fuer Kohlenforschung
Kaiser-Wilheim-Platz 1
D-45470, Muelheim an der Ruhr
Tel: +49 208 306 2163
E-Mail: tell^^mpi-muelheim.mpg.de
Web: http://www.mpi-muelheim.mpg.de/private/tell
------------------------------------------------



On 14/10/05 11:30 PM, "Rick Venable rvenable[*]pollux.cber.nih.gov"
<owner-chemistry^^ccl.net> wrote:

> 
> Sent to CCL by: Rick Venable [rvenable#,#pollux.cber.nih.gov]
> I'm looking for Fortran source code which computes the C+P puckering
> parameters for 5- and esp. 6-membered rings; source code or other tips
> would be greatly appreciated.
> 
> Regards,
> 
> -------------------------------------
> Rick Venable           29/500
> FDA/CBER/OVRR Biophysics Lab
> 1401 Rockville Pike    HFM-419
> Rockville, MD  20852-1448  U.S.A.
> (301) 496-1905  Rick_Venable AT nih*gov
> ALT email:  rvenable AT speakeasy*org
> -------------------------------------
> www.redcross.org> 
> 
>