Geoff Hutchison 889c350feb Merge pull request #2747 from romanbsd/inchi-crash-fix
Fix crash when converting some bad CML to inchi
2024-12-20 19:24:53 -05:00
2022-08-04 10:23:50 -04:00
2023-07-01 15:05:27 -04:00
2019-09-09 10:33:10 +01:00
2019-11-23 21:47:58 -05:00
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.

Description
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
Readme 80 MiB
Languages
C++ 63.7%
C 32.4%
Python 2%
SWIG 0.6%
CMake 0.6%
Other 0.5%