PyRosetta is an interactive Python-based interface to the powerful Rosetta molecular modeling suite. It enables users to design their own custom molecular modeling algorithms using Rosetta sampling methods and energy functions.
PyRosetta was created at Johns Hopkins University by Jeffrey J. Gray, Sergey Lyskov, and the PyRosetta Team. Its development is supported by:
Release notes: - PyRosetta - PyMOL integration. - All Rosetta classes can be subclassed in PyRosetta. - It’s now possible to define custom energy terms in PyRosetta (Examples can be found in test/*Subclassing*) - Rosetta libraries updated to r45995 (Nov 2011)