Peptide wth unnatural amino acid

Analysis Version 3
1

Hi!

I am working on peptides with unnatural amino acids, is it possible to caculate the structure on Xplor-NIH (V3.9) directly via CCPN (V3.2.2)?

Thanks

2

Hi,

At the moment this is not yet possible in a streamlined way, you can create a non-canonical amino acid and add it to the chain in CCPN v3, but structure calculation setup is more involved because of extra topology files needed for calculations.

Over next few days I will try to work out if there is a workable solution to this.

Kind regards,
Eliza

3

Hi Eliza,

Thank you for the reply.