Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
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Geoff Hutchison 889c350feb
Merge pull request #2747 from romanbsd/inchi-crash-fix
Fix crash when converting some bad CML to inchi
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cmake replace deprecated exec_program with execute_process and fix syntax error 2022-07-06 10:02:51 +09:00
data Fix Windows build - require Perl binary to build (#2492) 2022-06-11 14:44:34 -04:00
doc Update obminimize help message & docs (#2519) 2022-08-03 09:14:17 -04:00
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AUTHORS Merged revisions 3117-3119 via svnmerge from 2009-07-18 10:56:19 +00:00
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COPYING * windows-vc2005/Distribution: Edited the installer script to make it 2007-01-14 15:42:51 +00:00
CTestConfig.cmake Corrected time to match that of the dashboard. 2010-11-22 05:51:45 +00:00
INSTALL Update INSTALL and READMEs under scripts/ [ci skip] 2019-10-11 16:06:16 +09:00
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THANKS Fixed THANKS with 2.3 contributors. 2010-10-22 21:01:07 +00:00

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.