Member Site Forums PyRosetta PyRosetta – General Backbone didn’t change in docking, why? Reply To: Backbone didn’t change in docking, why?


    I don’t think the docking movers you’re trying to use are meant to consider backbone flexibility. For what it’s worth, you’re doing exactly the RIGHT thing by throwing a minmover with minimizeable backbone movemap into the mix. If you want more sampling, throw in loop movers at the interface, I guess? There are publications pending on this sort of modeling but I don’t think anything is out for Rosetta3 or PyRosetta; DDMI was released for Rosetta2 (Jha et al).