CCL: Cremer & Pople Fortran source
- From: Tell Tuttle <tell.tuttle_-_gmx.net>
- Subject: CCL: Cremer & Pople Fortran source
- Date: Sat, 15 Oct 2005 17:32:25 +0200
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
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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>
>
>