- This topic has 5 replies, 5 voices, and was last updated 3 years, 5 months ago by Anonymous.
March 18, 2014 at 12:29 pm #1853Anonymous
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.
March 21, 2014 at 3:50 pm #9914Anonymous
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.
March 25, 2014 at 9:32 am #9919Anonymous
Yes we did and thanks so much for this – really appreciate the help. Will let you know how I get on.
April 10, 2016 at 7:58 pm #11507Anonymous
The carl.bio.nyu.edu link appears to be broken now – are these still available somewhere?
April 29, 2016 at 2:49 pm #11549Anonymous
June 30, 2020 at 3:43 pm #15362Anonymous
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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