Energy Function

The driving force within Rosetta is its energy function. This function consists of energy terms derived from observable features within X-ray structures. A detailed description of the energy function can be found here.

The energy function within CS-Rosetta makes use of talaris2014.wts, which can be adjusted to use new (ref2015.wts) or old weights as per the application (or custom) requirements.

To change the weights used in the energy function, modify the -iterative:fa_score flag present in the flags_iterative file within the run directory after the setup. Structure calculation setup details for CS-Rosetta, RASREC and AutoNOE can be found under tutorials.