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Open Babel: The Open Source Chemistry Toolbox


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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. Included are ready-to-use programs, and complete programmer's toolkit that read, write and convert over 110 chemical file formats. Filtering and searching of molecular files using SMARTS and other methods is also possible. Support for many data formats used in molecular modeling, cheminformatics, bioinformatics, organic chemistry, inorganic chemistry, solid-state materials, nuclear chemistry.

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