I use your method - trial & error.. It would be nice if at least there was a list somewhere of unassigned codes!
On 5 June 2015 at 09:16, Lau Sze Yi (SIgN) <lau_sze...@immunol.a-star.edu.sg > wrote: > Hi, > > What is the proper way of generating 3-letter code for a new ligand? As of > now, I insert my ligand in Coot using smiles string and for the 3-letter > code I picked a non-existent code by trial and error (not very efficient). > A cif file with corresponding name which I generated using Phenix was > imported into Coot. > > I am sure there is a proper way of doing this. Appreciate your feedback. > > Regards, > Sze Yi >
