Reply To: Backbone didn’t change in docking, why?

[Anonymous]

Sun,

Same thing for me. I added a MinMover to the docking procedure as a quick and dirty way to move my downstream protein around. This is probably not optimal, as far as sampling configuration space goes, and a better choice might be an MC backbone mover before the “slideIntoContact” method.

(Like the example from the tutorial…)

movemap = MoveMap()
for i in range(1,100):
movemap.set_bb(i,True)
movemap.set_chi(i,True)
minmoverfa = MinMover(movemap,scorefxn_high_min,’dfpmin’,0.5,True)

As far as the flexible docking code from the tutorials/workshops, I’m not sure why it’s not doing what it says it should do. movemap.show() after .set_bb_true_range(n,N) lists that the backbone along the given amino acid chain is flexible, however the Docking procedure is not utilizing it.

Has anyone else come across this issue?