PyRosetta

PyRosetta is a Python-based implementation of the Rosetta molecular modeling package for custom structure prediction and design algorithms. It provides access to Rosetta functions for manipulating protein structure, calculating energies, and running simulations, and it can be used interactively or script-based. PyRosetta performs similarly to Rosetta and can be used for applications such as protein docking, folding, loop modeling, and design.

Topic

Algorithms

Detail

  • Operation: Protein sequence analysis

  • Software interface: Graphical user interface

  • Language: Python, C++

  • License: Other

  • Cost: Free for academic and non-profit institutions, available to commercial users for a fee.

  • Version name: v4

  • Credit: National Institute of Health, National Science Foundation CAREER Grant.

  • Input: -

  • Output: -

  • Contact: pyrosetta-help@graylab.jhu.edu

  • Collection: -

  • Maturity: Stable

Publications

  • PyRosetta: a script-based interface for implementing molecular modeling algorithms using Rosetta.
  • Chaudhury S, et al. PyRosetta: a script-based interface for implementing molecular modeling algorithms using Rosetta. PyRosetta: a script-based interface for implementing molecular modeling algorithms using Rosetta. 2010; 26:689-91. doi: 10.1093/bioinformatics/btq007
  • https://doi.org/10.1093/bioinformatics/btq007
  • PMID: 20061306
  • PMC: PMC2828115

Download and documentation

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