Unsolved

Do these three terms in Score12.wts_patch and after have significant overlap?

How would one go ahead to explain a delta_delta_G upon a mutation that has contributon coming from these terms? In one protein case, three mutations T61N, H135Y and H257P, showed significant gain in half-life. The score terms show contribution from Rama, p_aa_pp and ref. 

hello! isnt the following command meant to keep the backbone fixed? cos i obtain a model with a RMSD of about 1A from the initial model.

movemap=MoveMap()    
movemap.set_bb(False)
relax=ClassicRelax()
relax.set_scorefxn(scorefxn_tala)
relax.set_movemap(movemap)
relax.apply(sample_pose)

Thanks :)

Hi,

I am using a dock-design protocol to design a binding pocket to bind a ligand. I know where parts of the ligand should bind (orinetations and the position in protein) but the other parts can be flexible. Right now after the dock and design protocol, most of my outcomes change the whole position of ligand and don't keep that part fixed. Is there a way to tell the program to keep parts of the ligand fixed? or a way to generate conformers for only parts of the ligand? 

Thanks.

Hi Rosetta community,

After finally getting the RASREC run to successfully generate full 6 stages, now I'm at the point where I want to score the pdbs to find the lowest energy structures which suppose to be the closest to the native structure. But in this website: https://www.rosettacommons.org/demos/latest/protocol_capture/rasrec_evolutionary_restraints/README