openbabel

Descrizione

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 110 chemical file formats * Filter and search molecular files using SMARTS and other methods * Supports molecular modeling, cheminformatics, bioinformatics * Organic chemistry, inorganic chemistry, solid-state materials, nuclear chemistry * Downloaded over 700,000 times and used by over 40 related projects * How to cite Open Babel: The Open Babel and Pybel papers