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Supported Applications

TimeScapes

  • Description

    a Python-based program package that can be used to efficiently detect and characterize significant conformational changes in simulated biomolecular systems.

  • Usage

    To list all executables provided by TimeScapes, run: $ sbgrid-list timescapes Copy to clipboard

  • Installation

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

  • Primary Citation*

    W. Wriggers, K. A. Stafford, Y. Shan, S. Piana, P. Maragakis, K. Lindorff-Larsen, P. J. Miller, J. Gullingsrud, C. A. Rendleman, M. P. Eastwood, R. O. Dror, and D. E. Shaw. 2009. Automated Event Detection and Activity Monitoring in Long Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 5(10): 2595-2605.


    • *Full citation information available through

  • Keywords

    Computational Chemistry

  • Default Versions

    Linux 64:  1.4 (4.2 MB)
    OS X INTEL:  1.4 (1.0 MB)

  • Developers

    Willy Wriggers

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