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Restricting amino acid choices at certain positions

Open amyguo1997 opened this issue 3 years ago • 4 comments

Do you all have any thoughts on how to specify what residues are allowed at certain positions, aka a "resfile" (in Rosetta speak), for ColabDesign? Thank you.

amyguo1997 avatar Apr 07 '22 00:04 amyguo1997

Do you have an example resfile?

sokrypton avatar Apr 09 '22 15:04 sokrypton

There's a nice syntax documentation: https://www.rosettacommons.org/docs/latest/rosetta_basics/file_types/resfiles

phiweger avatar Apr 09 '22 19:04 phiweger

Sorry if there was some misunderstanding -- I meant just a way to input something like "for this protein, I would like to limit the possible amino acid choices at position 48 to AMLIVFWY", for example, in ColabDesign specifically.

amyguo1997 avatar Apr 09 '22 22:04 amyguo1997

Would like to follow up on this issue, since it would be very helpful for designing scaffolds with a catalytic residue for example :) Thanks!

steveyu323 avatar Apr 14 '23 18:04 steveyu323