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

[ Bron: 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.

Andere aan mgltools-sff gerelateerde pakketten

• dep: libc6 (>= 2.7)

  GNU C Bibliotheek: Gedeelde bibliotheken
  Ook een virtueel pakket geboden door: 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

  Interactive high-level object-oriented language (version 2.7)

  of python2.6

  Pakket niet beschikbaar

• enh: autodocktools

  Pakket niet beschikbaar

mgltools-sff downloaden

Pakket downloaden voor alle beschikbare platforms

Platform	Pakketgrootte	Geïnstalleerde grootte	Bestanden
i386	154,2 kB	585,0 kB	[overzicht]