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PyRosetta

  • Description

    an interactive Python-based interface to the powerful Rosetta molecular modeling suite that enables users to design their own custom molecular modeling algorithms using Rosetta sampling methods and energy functions.

  • Usage

    To list all executables provided by PyRosetta, run: $ sbgrid-list pyrosetta Copy to clipboard

  • Usage Notes

    PyRosetta is a Python module. To start with a python interpreter configured with PyRosetta in SBGrid, use the 'python.pyrosetta' command.

  • Installation

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

  • Primary Citation*

    S. Chaudhury, S. Lyskov, and J. Gray. 2010. PyRosetta: a script-based interface for implementing molecular modeling algorithms using Rosetta. Bioinformatics. 26(5): 689-691.


    • *Full citation information available through

  • Keywords

    Computational Chemistry

  • Default Versions

    Linux 64:  2022.12 (11.8 GB)
    OS X INTEL:  2024.10 (2.8 GB)

  • Other Versions

      Linux 64:

      4-155 (7.3 GB)

    • OS X INTEL:

      2022.12 (9.7 GB) , 2024.10_arm (2.9 GB) , 3-110 (3.1 GB)
    • Common files size: 112 bytes

  • Developers

    Jeffrey Gray, PyRosetta Team, Sergey Lyskov

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