Manual Reference Pages - OBPROP (1)
- print standard molecular properties
The obprop program is a tool to print a set of standard molecular
properties for all molecules in a file. It also serves as example code
for using the Open Babel library (libopenbabel).
Output format includes:
[Number of Rings (by SSSR)]
[Number (octanol-water partition)]
[Number (topological polar surface area)]
[Number (molar refractivity)]
The "$$$" is the separator between multiple molecular entries in a file
The web pages for Open Babel can be found at:
The obprop program was contributed by
.An Fabien Fontaine
Open Babel is developed by a cast of many, including currrent maintainers
.An Geoff Hutchison ,
.An Chris Morley ,
.An Michael Banck ,
and innumerable others who have contributed fixes and additions.
For more contributors to Open Babel, see
Copyright (C) 2003 by Fabien Fontaine
Some portions Copyright (C) 2004-2007 by Geoffrey R. Hutchison and
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.
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