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[ 原始碼: mgltools-sff  ]

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

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Simple Force Field for Python

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 implements an Amber force field with an interface to a molecular dynamics engine. SFF stands for simple force field. It is a C implementation of the amber force field made by Tom Macke and David Case.

This package exposes a wrapped version of the prm structure which holds the Amber parameters needed for an Amber calculation. It also exposes the mme and md functions to perform molecular mechanics and dynamics respectively.

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下載 mgltools-sff

下載可用於所有硬體架構的
硬體架構 套件大小 安裝後大小 檔案
amd64 165。4 kB619。0 kB [檔案列表]
armhf 137。4 kB457。0 kB [檔案列表]
i386 154。2 kB585。0 kB [檔案列表]