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

[ Source: mgltools-sff  ]

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.

Muut pakettiin mgltools-sff liittyvät paketit

• dep: libc6 (>= 2.7)

  GNU-C-kirjasto: jaetut kirjastot
  myös näennäispaketti, jonka toteuttaa libc6-udeb

• dep: mgltools-bhtree

  Bhtree library extension module

• dep: python (<< 2.8)

  interactive high-level object-oriented language (Python2 version)

  dep: python (>= 2.6.6-7~)

• dep: python-numpy

  Numerical Python adds a fast array facility to the Python language

• dep: python2.7

  Vuorovaikutteinen korkean abstraktiotason olio-ohjelmointikieli (versio 2.7)

  tai python2.6

  Paketti ei saatavilla

• enh: autodocktools

  Paketti ei saatavilla

Imuroi mgltools-sff

Imurointi kaikille saataville arkkitehtuureille

Arkkitehtuuri	Paketin koko	Koko asennettuna	Tiedostot
amd64	165.4 kt	619.0 kt	[tiedostoluettelo]
armhf	137.4 kt	457.0 kt	[tiedostoluettelo]
i386	154.2 kt	585.0 kt	[tiedostoluettelo]