InteractiveROSETTA

InteractiveROSETTA provides access to PyRosetta and Rosetta functionality for interactive protein structure modeling, design, docking, and analysis.

Key Features:

• PyRosetta/Rosetta backend: Leverages the PyRosetta Python API and the Rosetta protein modeling suite to run folding, docking, design, scoring, and analysis protocols.
• PyMOL integration: Uses PyMOL for structure visualization and selection to inform modeling and selection operations.
• Support for Rosetta protocols: Exposes widely used Rosetta protocols for protein folding, docking, computational design, and model analysis.
• Remote server execution: Supports submission and execution of Rosetta protocols on remote Rosetta servers to access greater computational resources.

Scientific Applications:

• Protein structure prediction and analysis: Enables generation and evaluation of structural models using Rosetta algorithms.
• Rational protein design for therapeutics: Facilitates computational design workflows aimed at engineering proteins with therapeutic properties.
• Protein–protein interaction investigation: Supports docking and interface analysis to study and model protein–protein interactions.
• Enzyme engineering: Supports design and optimization workflows for developing novel enzymes with specified catalytic properties.

Methodology:

Implemented on the PyRosetta Python interface to the Rosetta protein modeling suite; integrates PyMOL for visualization and selection and can submit Rosetta protocols to remote Rosetta servers.