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Supported Applications

DockQ

  • Description

    a quality measure for protein, nucleic acid, and small molecule docking models that provides a single continuous scoring metric. The tool evaluates docking poses by computing interface RMSD, ligand RMSD, fraction of native contacts, and an overall DockQ score with interpretable quality thresholds.

  • Usage

    To list all executables provided by DockQ, run: $ sbgrid-list dockq Copy to clipboard

  • Installation

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

  • Primary Citation*

    C. Mirabello and B. Wallner. 2024. DockQ v2: improved automatic quality measure for protein multimers, nucleic acids, and small molecules. Bioinformatics. 40(10).


    • *Full citation information available through

  • Keywords

    Computational Chemistry

  • Default Versions

    Linux 64:  2.1.3 (288.5 MB)
    OS X INTEL:  2.1.3 (228.5 MB)

  • Developers

    Bjorn Wallner, Claudio Mirabello

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