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Supported Applications

MDTraj

  • Description

    a modern, open library for the analysis of molecular dynamics trajectories

  • Usage

    To list all executables provided by MDTraj, run: $ sbgrid-list mdtraj Copy to clipboard

  • Installation

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

  • Primary Citation*

    R. T. McGibbon, K. A. Beauchamp, M. P. Harrigan, C. Klein, J. M. Swails, C. X. Hernández, C. R. Schwantes, L. P. Wang, T. J. Lane, and V. S. Pande. 2015. MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories. Biophysical journal. 109(8): 1528-32.


    • *Full citation information available through

  • Keywords

    Computational Chemistry

  • Default Versions

    Linux 64:  1.9.7 (795.5 MB)
    OS X INTEL:  1.9.7 (696.5 MB)

  • Developers

    Kyle A Beauchamp, Matthew P Harrigan, Robert McGibbon

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