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AddHelixSequenceConstraints Mover

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AddHelixSequenceConstraints Mover

Hello all

I want to design interface of a complex which contains only alpha helices ( has not any betta strand) , it is important for me that the secondary structures of alpha helices would not be disturbed during sequence design.

Recently I have found a suitable mover  '"AddHelixSequenceConstraints Mover"

 I think by using this mover during interface design  some constraint in sequence design cause to preserve the secondary structure of  alpha helices during design

Now I have two questions first does this mover do what I want? 

and second, did I add this mover to my script in the correct place? would I add or edit something in my script ? I have attached my script here

design raf rac 2.txt1.9 KB
Post Situation: 
Thu, 2019-05-30 03:17

This mover will bias design towards sequences that favour helices at any position that is in a helix.  So in that sense, yes, I think it will do what you want.

You've added it in the correct place, and have set up a scoring function correctly, but you're not passing that scoring function to the PackRotamersMover that will do the actual design.  You need to change the PackRotamersMover setup to be:

<PackRotamersMover name="packrot" scorefxn="tala_comp" task_operations="design,cmdline"/>

Thu, 2019-06-13 14:57

(One other note: if you want to use the talaris2014 scoring function, which is a legacy scoring function, be sure to run Rosetta with the -restore_talaris_behavior flag.  I'd recommend using the new default, ref2015, though, in which case you don't need any flags, but you do need to change talaris2014.wts to ref2015.wts.)

Thu, 2019-06-13 14:59