The scripts and input files that accompany this demo can be found in the demos/protocol_captures directory of the Rosetta weekly releases.

This is a protocol capture, and represents the protocol at a fixed point in time. It may not work with the current version of Rosetta.




Incorporation of Noncanonical Amino Acids into Rosetta and Use in Computational Protein-Peptide Interface Design

Brief Description

This is four separate protocol captures that describe the four different ways Rosetta was used in the accompanying publication: creating Rosetta ResidueType parameter files for NCAAs, creating backbone dependent rotamer libraries for NCAAs, calculating explicit unfolded state reference energies for NCAAs, and the running of the DougsDockDesignMinimizeInterface protocol using NCAAs. The protocol caputres for creating ResidueType paramater files, rotamer libraries and explicite unfolded state energies describe the process used in the publication but are written from the standpoint of a researcher looking to add an additional NCAA to Rosetta.


See README files for individual files for descriptions about each part was run.


The code for this protocol capture is completely checked into trunk rXXXXX and database rYYYYY.