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[ 源代码: mgltools-cmolkit  ]

软件包:mgltools-cmolkit(1.5.7~rc1+cvs.20140424-2) [non-free]

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Python classes to interpret trajectories of Gromacs

This package is an optional 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 allows one to read and analyse the trajectories of molecular dynamics simulations performed with Gromacs.

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