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[ Source: mgltools-pyautodock  ]

Package: mgltools-pyautodock (1.5.6~rc3~cvs.20120206-1) [non-free]

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Python implementation of autodock

This package is part of the mgltools set of Python libraries which provide an infrastructure for the analysis of protein structures and their docking of chemical compounds. This package provides a Python implementation of the autodock3 scoring function and of the new autodock4 scoring function. Also it includes a Python implementation of AutoGrid.

AutoDock is a well established package for the automated screening of libraries of formal representation of chemical compounds that putatively bind to a particular protein at hand. This package provides a graphical user interface that is helping with the preparation of the protein for such analyses.

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