From dok707#* at *#cvx12.inet.dkfz-heidelberg.de Fri Feb 4 03:47:04 1994 Received: from cvx12.inet.dkfz-heidelberg.de for dok707 -x- at -x- cvx12.inet.dkfz-heidelberg.de by www.ccl.net (8.6.4/930601.1506) id DAA23075; Fri, 4 Feb 1994 03:29:25 -0500 Received: by cvx12.inet.dkfz-heidelberg.de id AA19277 (5.65c/IDA-1.4.4 for chemistry#* at *#ccl.net); Thu, 3 Feb 1994 14:44:22 +0100 Date: Thu, 3 Feb 1994 14:44:22 +0100 From: Frank Herrmann Message-Id: <199402031344.AA19277 $#at#$ cvx12.inet.dkfz-heidelberg.de> To: chemistry {*at*} ccl.net Subject: conformation generation from internal coordinates 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: F.Herrmann:~at~:dkfz-heidelberg.de