Hi everyone,
I am trying to calculate the structure of an N-terminally acetylated peptide using Aria. I can import the acetyl-group into CCPN either using the database entry (ACE) or a ChemComp build acetyl group (ACY). Whatever, I do after the aria run the acetyl group is absent in the derived coordinates ... What can I do to solve this issue? My first residue is a Ser so would it help to build a acetylated Ser residue in ChemComp? Please help
Raj
|