I have been using Rosetta design for quite a while but I did not pay attention to what Resfile header would do. I looked for descriptions and examples files different people have shared and used and I am unable to understand when I should specify NATRO or NATAA in the header?
I want to perform different tasks. For example:
1) Mutate specific residue to ALLAA and I use header like:
30 H ALLAA
whereas, I found someone using following header:
79 C ALLAA
and if I want to mutate single residue or multiple residues to one particular residue, I use:
53 C PIKAA A
56 C PIKAA A
but I dont know which header I should use. From header definations I collected following information:
The default NATAA will allow non-mutated residues to repack around your mutations, whereas the default ALLAA would have caused all residues everywhere to be designed, resulting in many mutations (not just the 2 you want).
NATRO # default command that applies to everything without a non- default setting; do not repack
What I understand NATAA repack all residues around mutated residue but what NATRO does is unclear to me?
I will be looking forward for your kind response