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Library of unnatural amino acid parameters

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Library of unnatural amino acid parameters


I am interested in modeling the changes to a protein after substitution of the unnatural amino acids L-ANAP and Aladan pictured below.

ANAP and Aladan

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?

anap_aladan.png9.8 KB
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Mon, 2017-04-17 11:08

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:

Tue, 2017-04-18 08:33