Subject: phase angle

From: [email-masked] (Antonio Entrena Guadix )
Date: Mon, 15 Apr 1996 11:57:23 +0100

Dear CCl users:
        A while back I posted this question to the CCL:

        "I am loocking for a program to calculate the phase angle in a 
five- six or seven-membered rings. As a input data I would like to use the
MM3 output coordinates."

        I am very grateful to Graig Taverner (Structural Chemistry, 
University of the Witwatersrand, South Africa) who answered to my question. 
I am waiting for more responses but the following is the only one that I 
have received.
     I regreet for the delay in the submition of the answer but I have been 
outside of Granada for a few days

        "
Professor Jan Boeyens <[email-masked]> and Debora Evans wrote a 
program to do exactly this for any size ring.  It is called conpuc.  I 
takes it's own cartesian coordinate input, that I'm sure is easy to convert 
from MM3.

The reference is:

  D.G.Evans, J.C.A.Boeyens, "Conformational Analysis of Ring Pucker", 
  Acta Cryst. (1989). B45, 581-590

and the program source is available at:

  ftp://hobbes.gh.wits.ac.za/pub/conpuc/

Cheers, Craig"

        Sincerely

                A. Entrena