Parametrisation problems

[Anonymous]

Hello everyone!

I have a residue in my protein, that is non-canonical and that I named REL.

After all the steps from https://www.rosettacommons.org/demos/latest/public/design_with_ncaa/README with the only difference in using molfile_to_params.py instead of molfile_to_params_polymer.py, because the second doesn’t work in my rosetta suite.

My question is: what is the final step? In what folder shall I put the params file to work with REL amino acid?

Thank you in advance,

Dmitrii.

 

[Anonymous]

I beleive you can pass the path to the new file to the flag “-extra_res_fa”.  I didn’t look that up, that’s from memory, if it doesn’t work, reply and I’ll go digging.

[Anonymous]

Well, it worked!

Thank you!

[Author]

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