openbabel  2.4.1
About: 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.
  Fossies Dox: openbabel-2.4.1.tar.gz  ("inofficial" and yet experimental doxygen-generated source code documentation)  

openbabel Documentation

Some Fossies usage hints in advance:

  1. To see the Doxygen generated documentation please click on one of the items in the steelblue colored "quick index" bar above or use the side panel at the left which displays a hierarchical tree-like index structure and is adjustable in width.
  2. If you want to search for something by keyword rather than browse for it you can use the client side search facility (using Javascript and DHTML) that provides live searching, i.e. the search results are presented and adapted as you type in the Search input field at the top right.
  3. Doxygen doesn't incorporate all member files but just a definable subset (basically the main project source code files that are written in a supported language). So to search and browse all member files you may visit the Fossies
  4. openbabel-2.4.1.tar.gz contents page and use the Fossies standard member browsing features (also with source code highlighting and additionally with optional code folding).
README.md

Open Babel README version 2.4.1

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]( <http://openbabel.org/).