Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
C++ C Python CMake Objective-C HTML Other
Latest commit f9669b5 Sep 26, 2016 @ghutchis ghutchis committed on GitHub Merge pull request #348 from mcs07/python
Python setup.py fixes for 2.4.0 (and future) release
Permalink
Failed to load latest commit information.
cmake Add a "make uninstall" target - fixes #300. May 12, 2016
data Add element abbreviations and names for 113, 115, 117, 118 Jun 9, 2016
doc CMakeLists.txt: Allow configuring BABEL_DATADIR Apr 2, 2015
include Merge pull request #318 from mwojcikowski/patch-2 Aug 9, 2016
scripts Python setup.py fixes for 2.4.0 release Sep 23, 2016
src Add support for reading Jaguar input files to jaguarformat.cpp Aug 16, 2016
test Minor fix for compilation with gcc Jul 23, 2016
tools edit info message of obprop Aug 2, 2016
.gitignore Add some automatically-built scripts/ code to prevent commiting to git Dec 16, 2013
.travis.yml Use conditional instead of "test" Mar 17, 2016
AUTHORS Merged revisions 3117-3119 via svnmerge from Jul 18, 2009
CMakeLists.txt Bump version number for 2.4.0 Sep 15, 2016
COPYING * windows-vc2005/Distribution: Edited the installer script to make it Jan 14, 2007
CTestConfig.cmake Corrected time to match that of the dashboard. Nov 22, 2010
INSTALL Bump version number for 2.4.0 Sep 15, 2016
NEWS Bump version number for 2.4.0 Sep 15, 2016
OpenBabel2Config.cmake.in Include the exports file, remove extra prefix set. May 23, 2010
OpenBabel2ConfigVersion.cmake.in First pass at a CMake config file. Build dir only. May 23, 2010
README.md Bump version number for 2.4.0 Sep 15, 2016
THANKS Fixed THANKS with 2.3 contributors. Oct 22, 2010
authors.txt Modified authors file for svn2git conversion. Oct 14, 2012
openbabel-2.0.pc.cmake More svn:eol-style being set. The main reason I am doing this right n… Jun 9, 2010

README.md

Open Babel README version 2.4.0

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

  • Ready-to-use programs, and complete programmer's toolkit
  • Read, write and convert over 90 chemical file formats
  • Filter and search molecular files using SMARTS and other methods
  • Generate 2D and 3D coordinates for SMILES, InChI and other formats
  • Supports molecular modeling, cheminformatics, bioinformatics, organic chemistry, inorganic chemistry, solid-state materials, nuclear chemistry...

Open Babel is distributed under the GNU General Public License (GPL). 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. Full details can be found in the file "COPYING" which should be included in your distribution.

For more information, check the Open Babel website.