You are here

Noncanonical amino acids

9 posts / 0 new
Last post
Noncanonical amino acids

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.


Post Situation: 
Tue, 2014-03-18 05:29

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.

Fri, 2014-03-21 08:50

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

Sun, 2016-04-10 12:58
Fri, 2016-04-29 07:49

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.


Tue, 2020-06-30 08:43

is not accessible.


Is there a updated website?

Tue, 2022-04-26 09:30

I have no idea about that link but I was curious too about what NCAA were available in the database folder, so I made a table:

Tue, 2022-05-03 00:12

Hi Doug,

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



Tue, 2014-03-25 02:32

Hi All,

How do you generate parameters for a stapled helix peptide? The residues that are "stapled" are alanines at position 1 and 5, inclusive. The "staple" is a 8-carbon linker. 


Thu, 2022-05-26 12:51