Subject: conformation generation from internal coordinates

From: Frank Herrmann <[email-masked]>
Date: Thu, 3 Feb 1994 14:44:22 +0100

Hello,

is there a program, that generates conformations from distances,
angles and dihedrals if they are not given as a complete Z-Matrix
(e.g. mopac input) ? It should use additional angles instead of missed
dihedrals and detect or handle incomplete determination of the
conformation.  

My actual problem is a conformation described in an article using only
distances and angles and I want to generate either a PDB or a MOPAC
input file. I guess the given values are not sufficient to determine
the conformation.

Any suggestions would be appreciated
Thank you

--------------------------------------------------
Frank Herrmann, Dept. of Molecular Biophysics 0810
German Cancer Research Center
Im Neuenheimer Feld 280, D-69120 Heidelberg
Tel: (49) 6221-422336, FAX: (49) 6221-422333
email: [email-masked]