David Koes Deleted File  about 8 years ago

Commit id: ad1f309f72a9edb81a7036531bba745f473a3931

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FragIt is a general fragmentation methodology written in Python that provides fragments for input files in quantum chemistry programs that support such fragment based methods. It allows user to fragment "any" molecule using the SMARTS language to locate chemically appropriate fragments in large structures \cite{Steinmann_2012}.