NAME¶

obdistgen — generate rough 3D coordinates for SMILES (or other 0D files)

SYNOPSIS¶

DESCRIPTION¶

Generates SDFs with distance geometry.

EXAMPLES¶

Generate rough 3D coordinates for molecule.smi and write it to molecule.sdf

SEE ALSO¶

obgen(1).

The web pages for Open Babel can be found at: <http://openbabel.org/>

AUTHORS¶

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¶

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.