phase angle



         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 <jan \\at// hobbes.gh.wits.ac.za> 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