CCL: Cremer & Pople Fortran source



 Sent to CCL by: Rick Venable [rvenable- -pollux.cber.nih.gov]
 	I should have mentioned-- I checked the QCPE catalog and
 found that the RING program is apparently no longer available.
 QCPE Program Number:	288
 Program Title:	RING: A Coordinate Transformation Program for Evaluating
 the Degree and Type of Puckering of a Ring Compound
 Author:	D. Cremer
 Lehrstuhl fur Theoretische Chemie
 Universite Koln,
 Koln, FRG
 Lines of Code:	789
 Academic Fee:	THIS PROGRAM IS NOT AVAILABLE
 Commercial Fee:	THIS PROGRAM IS NOT AVAILABLE
 	I've gone ahead and written my own implementation based on the
 original C+P reference and a 1986 paper by Harvey and Prabhakaran.
 On Sat, 15 Oct 2005, Tell Tuttle tell.tuttle*gmx.net wrote:
 > The program RING, written by Cremer, can be downloaded from the QCPE.
 > It can do what you need.
 >
 > -----------------------------------------------
 > 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"
 > > 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.
 -------------------------------------
 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
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