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Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
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ghutchis Merge pull request #1993 from schrodinger/master
Add maeparser support to openbabel
Latest commit 8ef4954 Aug 16, 2019
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.github Create CODE_OF_CONDUCT.md Oct 20, 2017
cmake CMake use system rapidjson or download on demand Feb 11, 2018
data Merge pull request #1931 from n-yoshikawa/fragment-based-builder-update Mar 5, 2019
doc Merge pull request #1978 from dkoes/obrms_enhancement Apr 27, 2019
include Merge remote-tracking branch 'upstream/master' into h_vector_fix Jul 30, 2019
scripts typo fix Jul 10, 2019
src Merge pull request #1993 from schrodinger/master Aug 15, 2019
test Merge pull request #1993 from schrodinger/master Aug 15, 2019
tools Merge pull request #1973 from e-kwsm/fix-exit-code May 7, 2019
.gitignore add __init__.py to .gitignore Apr 18, 2019
.travis.yml For Travis builds, include output for build failures Apr 7, 2019
AUTHORS Merged revisions 3117-3119 via svnmerge from Jul 18, 2009
CMakeLists.txt Only build maeparser if boost is present Jun 11, 2019
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 for 2.5-beta (2.4.90) version numbering. Oct 12, 2017
NEWS Bump for 2.5-beta (2.4.90) version numbering. Oct 12, 2017
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 Update download link Oct 4, 2017
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

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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.

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