simultaneous mutations on both interacting protomers (chains), possible or not?

[curiousa]

Dear Kyle,

Does the script of your tutorial allow for simultaneous mutations of residues on both sides of the interface? I think I understand how to modify mutfile and resfile for such input, but it's not clear to me how I should modify chains_to_move.txt...

By the way, for newbies who have never used Rosetta before (like me), it would have helped if you clarified that mutfile contains renumbered protein residues whereas resfile has pdb numbering. It took me some time to figure it out, given that the lines with mutation specifications are not in the same order in resfile and mutfile in your tutorial example.

Thanks, Alina

[kylebarlow]

Hi Alina,

Yes, making mutations on both sides of the interface is definitely possible through mutfile/resfile modification. chains_to_move.txt defines one "side" of the interface and doesn't care where the mutations are, so the same chains_to_move.txt would be applicable irregardless of where the mutations are.

Thanks for the suggestion to improve the explanation of mutfiles and resfiles, I will try and clarify the documentation.

[curiousa]

Thank you, Kyle!