Hello Chandrika,
you can either set the occupancy of the molecule to 0.5 and refine it as
a whole molecule or leave the occupancy at 1, refine only one half of the
molecule and let the symmetry operator do the rest.
Chemically the first way makes more sense to me: even though the PEG
Hi everyone,
Following Chandrika's question, what should I do if one peptide
chain crosses a two-fold crystallographic symmetry axis?
The peptide is not symmetric and the sidechain of one Se-Met (two after CS
operation) is determined and conformed by MAD.
Your sincerely
