I'm trying to model the binding of an antibody to a citrullinated peptide. I've created rotlibs and params files for the citrulline amino acid following the protocol in Renfrew, et al. "Incorporation of Noncanonical Amino Acids into Rosetta and Use in Computational Protein-Peptide Interface Design", doi:10.1371/journal.pone.0032637. Now I'm trying to use SnugDock to model the antibody:antigen binding, but I keep hitting the following error.
ERROR: Failed to apply a PatchOperation to CIT
ERROR:: Exit from: src/core/chemical/Patch.cc line: 339
I've attached relevant files below. Does anyone have any suggestions?
Much thanks in advance.