This notebook contains material from PyRosetta; content is available on Github.

Rosetta Energy Score Functions

A basic function of Rosetta is calculating the energy or score of a biomolecule. Rosetta has a standard energy function for all-atom calculations as well as several scoring functions for low-resolution protein representations. See https://www.ncbi.nlm.nih.gov/pubmed/28430426 for a review on the all-atom score functions.

You can also tailor an energy function by including scoring terms of your choice with custom weights.

Chapter contributors:

  • Kathy Le (Johns Hopkins University) adapted this chapter from the PyRosetta Workshops (J. J. Gray, S. Chaudhury, S. Lyskov, J. Labonte, 2017).