openbabel
A chemistry toolbox
Open Babel is a chemical toolbox understanding many formats of chemical data. It allows to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. This package contains the command-line utility, which is intended to be used as a replacement for the original babel program, to translate between various chemical file formats as well as a wide variety of utilities to foster development of other open source scientific software.
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