Noncanonical amino acids

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    • #1853

        Hi all,

        I am trying to implement the method outlined in “Incorporation of Noncanonical Amino Acids into Rosetta and use in Computational Protein- Peptide Interface Design” doi:10.1371/journal.pone.0032637.

        I just wondered if I should start right from the beginning, or whether there is somewhere I can download the parameter files, rotamer libraries and unfolded state reference energies for NCAAs so that I can move directly to doing the design protocol.

        Any advice would be most appreciated.


      • #9914

          Hi Walraj, I think we met at RosettaCon. Thanks for your interest in the NCAA paper. The ResidueType parameter files are distributed with Rosetta but are not enabled/turned-on by default. The rotamer libraries are not however are not distributed with Rosetta. You can download them at the link below.

          Here is a quick reference for the three letter codes for the NCAAs

          I suspect that you will also find the protocol capture associated with this paper rather useful. You can find it in the demos directory of your copy of Rosetta.

        • #9919

            Hi Doug,

            Yes we did and thanks so much for this – really appreciate the help. Will let you know how I get on.



          • #11507

              The link appears to be broken now – are these still available somewhere?

            • #11549
              • #15362

                  Thanks for these!

                  By any chance do you have a key for the three letter codes used for the NCAAs?

                  The previously posted link seems to have also died.


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