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[ Source: mgltools-sff  ]

Package: 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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Architecture Package Size Installed Size Files
amd64 165.4 kB619.0 kB [list of files]
armel 158.2 kB581.0 kB [list of files]
armhf 137.4 kB457.0 kB [list of files]
i386 154.2 kB585.0 kB [list of files]
ia64 211.6 kB940.0 kB [list of files]
kfreebsd-amd64 165.5 kB538.0 kB [list of files]
kfreebsd-i386 154.0 kB504.0 kB [list of files]
mips 153.6 kB631.0 kB [list of files]
powerpc 158.0 kB588.0 kB [list of files]
s390 153.5 kB628.0 kB [list of files]
s390x 169.5 kB655.0 kB [list of files]
sparc 145.5 kB553.0 kB [list of files]