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Supported Applications

MGLTools

  • Description

    a software package for visualization and analysis of molecular structures comprising AutoDockTools (ADT): a graphical front-end for setting up and running AutoDock; Python Molecule Viewer (PMV); and Vision: a visual-programming environment for building networks describing novel combinations of computational methods and yielding new visualizations of their data.

  • Installation

    Use the following command to install this title with the CLI client: $ sbgrid-cli install mgltools Copy to clipboard

  • 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

  • Keywords

    Computational Chemistry, Visualization

  • Default Versions

    Linux 64:  1.5.7rc1
    OS X INTEL:  1.5.7rc1

  • Other Versions

      Linux 64:

      1.5.6rc3, 1.5.6rc2

    • OS X INTEL:

      1.5.4, 1.4.5

  • Developers

    Michael Sanner

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