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AddHelixSequenceConstraints Mover2

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AddHelixSequenceConstraints Mover2

Hello All

I want to design the interface of a two-chain complex( actually design only one of the partner)  using raf / rac design script which I have attached it here.

Is it better and more accurate to change this script in order to get and use resfile ? 

I prefer to design interface automatically without resfile (just script defines interface residues)  because I have no idea about which residues in interface should be designed or not. or what types of mutations are allowable

Would it be a serious problem if I want to NOT use resfile? for example, I worry  about disturbing protein structure completely due to  too many mutations

design raf rac 2.txt1.9 KB
Post Situation: 
Sat, 2019-06-01 01:54

I'd say, try it without a resfile first, and only use a resfile if you need it.  Resfiles aren't objectively "better", but they do give you more control over the design process.  There's no harm in trying the simplest thing, then going to something more complicated only if necessary.

Thu, 2019-06-13 15:01