Tumblr

SBGridTV

Supported Applications

MGLTools

  • Description

    a software package comprised of AutoDockTools (ADT), Python Molecule Viewer (PMV) and a python programming environment called Vision, developed for visualization and analysis of molecular structures.

    AutoDockTools is graphical front-end for setting up and running AutoDock - an automated docking software designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.

    PMV is a powerful molecular viewer that has a number of customizable features and comes with many pluggable commands ranging from displaying molecular surfaces to advanced volume rendering.

    Vision is a visual-programming environment in which a user can interactively build networks describing novel combinations of computational methods, and yielding new visualizations of their data without actually writing code.

  • Primary Citation*

    M. Sanner. 1999. Python: A Programming Language for Software Integration and Development. J. Mol. Graph. Model. 17(1): 57-61.
    (Note: This is the primary citation for producing molecular graphics images.)

    G. Morris, R. Huey, W. Lindstrom, M. Sanner, R. Belew, D. Goodsell, and A. Olson. 2009. Autodock4 and AutoDockTools4: automated docking with selective receptor flexiblity. Journal of Computational Chemistry. 30(16): 2785-91.
    (Note: This is the primary citation for molecular docking applications.)

    • *Full citation information available through

  • Categories

    Visualization, Computational Chemistry, Structural Biology

  • Default Versions

    Linux 64 1.5.7rc1
    OS X INTEL 1.5.7rc1

  • Other Available Versions

    Linux 32 1.4.5
    Linux 32 1.5.4
    Linux 32 1.5.6rc2
    Linux 32 1.5.6rc3
    Linux 64 1.5.6rc2
    Linux 64 1.5.6rc3
    OS X INTEL 1.4.5
    OS X INTEL 1.5.4
    OS X INTEL 1.5.6rc2
    OS X INTEL 1.5.6rc3
    powermac 1.4.4
    powermac 1.4.5
    powermac 1.5.4

  • Developers

    Michael Sanner.