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MGLTools2

  • Description

    a series of software tools for docking flexible ligands into receptors with selective flexibility, comprising: 1) AutoDockFR: a docking engine using the AutoDock4 forcefield; 2) AutoGridFR: a graphical user interface for setting up docking boxes; 3) AutoSite: a ligand binding site detection and characterization program.

  • Usage

    To list all executables provided by MGLTools2, run: $ sbgrid-list mgltools2 Copy to clipboard

  • Installation

    Use the following command to install this title with the CLI client: $ sbgrid-cli install mgltools2 Copy to clipboard Available operating systems: Linux 64, OS X INTEL

  • Primary Citation*

    Y. Zhao, D. Stoffler, and M. Sanner. 2006. Hierarchical and multi-resolution representation of protein flexibility. Bioinformatics. 22(22): 2768-2774.


    • *Full citation information available through

  • Keywords

    Computational Chemistry

  • Default Versions

    Linux 64:  1.1 (460.7 MB)
    OS X INTEL:  1.1 (291.7 MB)

  • Other Versions

      Linux 64:

      1.0 (605.7 MB)

    • OS X INTEL:

      1.0 (284.2 MB)

  • Developers

    Michael Sanner

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