obchiral -- print molecular chirality information
obchiral filename
The obchiral program is a tool to print the chirality information for all molecules in a file. It also serves as example code for using the Open Babel library (libopenbabel).
obchiral pyridines.sdf
babel(1) , obfit(1) , obgrep(1) , obprop(1) , obrotate(1) .
The web pages for Open Babel can be found at: <http://openbabel.org/>
The obchiral program was written by Nick England
Open Babel is developed by a cast of many, including currrent maintainers Geoff Hutchison, Chris Morley, Michael Banck, and innumerable others who have contributed fixes and additions. For more contributors to Open Babel, see <http://openbabel.org/wiki/THANKS>
Copyright (C) 2005 Nick England.
Some portions Copyright (C) 1998-2001 by OpenEye Scientific Software,
Inc.
Some portions Copyright (C) 2001-2007 by Geoffrey R. Hutchison and other
contributors.
This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation version 2 of the License.
This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.