Hello,
I am interested in modeling the changes to a protein after substitution of the unnatural amino acids L-ANAP and Aladan pictured below.
It does not appear that the params for these are packaged with Rosetta. However, is there an unofficial library/repository of Rosetta params that may contain params for these amino acids?
| Attachment | Size |
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 anap_aladan.png | 9.8 KB |
Category:
Post Situation:
There is a repository of Rosetta params and rotamers. Due to bandwidth issues (the rotamer files are *very large*) they are not available except by request. Unfortunately, I am informed that your molecules of interest are not in the repository already.
Here's documentation on generating noncanonical params:
https://www.rosettacommons.org/docs/latest/rosetta_basics/non_protein_residues/Noncanonical-Amino-Acids
http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0067051
http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0032637