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obdistgen(1) General Commands Manual (urm) obdistgen(1)

NAME

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

SYNOPSIS

obdistgen filename

DESCRIPTION

Generates SDFs with distance geometry.

EXAMPLES

obdistgen molecule.smi >molecule.sdf

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.

October 26, 2017 Open Babel 2.4.1