Package: autodocktools (1.5.6~rc3~cvs.20120206-1) [non-free]

[ Source: autodocktools  ]

GUI to help set up, launch and analyze AutoDock dockings

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.

AutoDock is a well established package for the automated screening of libraries of formal representation of chemical compounds that putatively bind to a particular protein at hand. This package provides a graphical user interface that is helping with the preparation of the protein for such analyses.

The tool AutoLigand, which may help to constrain the location of the binding pocket for yet undescribed proteins, is accompanying the main executable 'runAdt'.

Tags: Field: Biology, Structural Biology, field::chemistry, interface::x11, Role: Program, Science: Modelling, Scope: scope::suite, uitoolkit::tk, Purpose: Analysing, Configuration, use::converting, use::simulating, Data Visualization, Supports Format: works-with-format::TODO, works-with::3dmodel, X Window System: Application

Other Packages Related to autodocktools

• dep: mgltools-molkit

  Python classes to read and manipulate molecules

• dep: mgltools-pmv

  Python-based Molecular Viewer

• dep: mgltools-support

  Update mechanism of MGLTools

• dep: mgltools-viewerframework

  ViewerFramework supports building visualization applications

• dep: mgltools-volume

  Volume rendering Python package

• dep: python (<< 2.8)

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

  dep: python (>= 2.6.6-7~)

• dep: python-imaging-tk

  Python Imaging Library - ImageTk Module

• dep: python2.7

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

  or python2.6

  Interactive high-level object-oriented language (version 2.6)

• rec: mgltools-pyautodock

  Python implementation of autodock

• rec: mgltools-utpackages

  UT Austin software Python extensions

• rec: mgltools-webservices

  webservices for components of autodocktools

• sug: autodock

  analysis of ligand binding to protein structure

• sug: autodock-vina

  docking of small molecules to proteins

• sug: ballview

  free molecular modeling and molecular graphics tool

• sug: mgltools-cadd

  Computer Aided Drug Discovery (CADD) Pipeline

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