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[ 源代码: mgltools-molkit  ]

软件包: mgltools-molkit (1.5.6~rc3~cvs.20120206-1) [non-free]

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Python classes to read and manipulate molecules

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.

It provides a series of functions to calculate properties of protein structures and allows performing local modifications.

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