Hello, I am working on protein-protein docking with a fairly refined (fastrelaxed) experimental complex.
As such, high resolution docking seems to be the way to go, but I'm a little bit confused with which class to use in pyrosetta.rosetta.protocols.docking :
- Can't get DockingHighRes() to work (RuntimeError: Tried to call pure virtual function "DockingHighRes::apply")
- Pyrosetta Notebooks hint at DockMCMProtocol, but I'm not sure whether this should be used alone, or in conjuction with
- DockingInitialPerturbation or RigidBodyPerturbMover (before)
- DockMinMover (after)
Thank you for your guidance !