Library of unnatural amino acid parameters

[Anonymous]

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?

[Anonymous]

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

[Anonymous]

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

[Anonymous]

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

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