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.
ENVIRONMENT
OB_RANDOM_SEED
Seed for pseudo random number generator; random seed is used if
unset or null. This feature is effective if Open Babel is built
with -DOB_USE_OBRANDOMMT cpreprocessor flag (will be automatically
enabled when version 4 is released).
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:
AUTHORS
Open Babel is developed by a cast of many, including current maintainers
Geoff Hutchison, Chris Morley, Michael Banck, and innumerable others who
have contributed fixes and additions. For more contributors to Open
Babel, see
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 3.2 May 26, 2026 Open Babel 3.2