Reply To: some application troubles when using resfile flag

[Anonymous]

Rosetta isn’t reading your new residue type.

“I have updated the produced file to residue_type_sets/fa_standard/residue_type.txt” – this should take care of reading it in. Try adding -out:level 500 to your command line. This will produce a HUGE amount of output, including a line as each residue type is read in, like so:

core.chemical: Read 36 lines from file: /scratch/smlewis/minirosetta_database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/GLY.params
core.chemical.ResidueType: adding act coord atom: GLY CA
core.chemical: Read 102 lines from file: /scratch/smlewis/minirosetta_database/chemical/residue_type_sets/fa_standard/residue_types/l-caa/HIS.params
core.chemical.ResidueType: adding act coord atom: HIS ND1
core.chemical.ResidueType: adding act coord atom: HIS CD2

You should look for your new one in this list.

If it’s not there, it isn’t being read in residue_types.txt for some reason. (You didn’t put a # in front of it, right?)

You can also try the flag -extra_res_fa, which is a command-line addition to residue_types.txt.