Man page - obdistgen(1)

Packages contains this manual

Package:  openbabel
apt-get install openbabel

Manuals in package:
• obenergy(1)
• obrotate(1)
• obminimize(1)
• obprobe(1)
• obgrep(1)
• obfit(1)
• obthermo(1)
• obspectrophore(1)
• obconformer(1)
• obprop(1)
• obsym(1)
• obrms(1)
• obchiral(1)
• obtautomer(1)
• obgen(1)
• obrotamer(1)
• obdistgen(1)
• obabel(1)

Manual

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UNTITLED () LOCAL UNTITLED ()

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. Open Babel 3.1 Oct 10, 2019 obdistgen (1)

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