obchiral(1) | General Commands Manual (urm) | obchiral(1) |
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.
July 4, 2008 | Open Babel 2.2 |