I am trying to use the fixbb application with non-canonical amionoacids.
I have prepared a test res file:
23 B EMPTY A20 B47 B48
and use the -score:weights mm-std flag
I have also de-commented the l-ncaa aminoacids in the chemical/residue_type_sets /fa_standard/residue_types.txt
now when I run it, I get this:
core.pack.task.ResfileReader: On line 3 command 'A20'is not recognized
Do I need to do anything else to have the ncaa's available for fixbb ?