From tony%!at!%wucmd.wustl.edu  Mon Mar 22 10:16:33 1993
Date: Mon, 22 Mar 93 16:16:33 -0600
From: tony # - at - # wucmd.wustl.edu (Tony Dueben)
Message-Id: <9303222216.AA21595:~at~:wucmd>
To: chemistry $#at#$ ccl.net
Subject: Cartesian -to- z-matrix conversion


I hope that this isn't a FAQ, but I would like to convert
a file containing a molecule's geometry in the form of 
cartesian coordinates to a z-matrix.  (Specifically, I
have a Sybyl .mol2 file for a polypeptide that is too big
for the z-matrix converter that is already available in 
Sybyl.)  Is there anyone on the bulletin board who would
be willing to share his or her program with me to do this
task?  It does not matter to me whether I may need to 
modify your program if it had been written originally for
files from another software system.  As long as it takes
a cartesian geometry and generates a z-matrix, I'll be
grateful for your help.

Anthony J. Duben
Center for Molecular Design
Washington University
Campus Box 1099
One Brookings Drive
St. Louis MO 63130-4899
314-935-4672
tony /at\wucmd.wustl.edu