David Koes Deleted File  about 8 years ago

Commit id: 6432da2174b6c730e52ede328d0b4a74762573b9

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Open3DALIGN \cite{Tosco_2011}, Open3DGrid, and Open3DQSAR \cite{Tosco_2010} are a suite of related tools that aid in developed 3D QSAR models. Open3DALIGN performs unsupervised rigid-body molecular alignment, Open3DGrid generates molecular interaction fields (MIFs) in a variety of formats, and Open3DQSAR builds predictive models from the MIFs of aligned molecules. Calculations can be visualized in real time in PyMOL.