Dear Francis,
You need to put the atoms starting with CG into PART -1 to prevent them
clashing, and reset the occupancies to 10.5 (i.e. fixed at 0.5). There
must be another disorder component pointing somewhere else (also with
half occupancy).
SHELXPRO has been made obsolete by Anna Luebben'
Hi all
I'm trying to refine a structure with a tyrosine sitting on a special position
, or maybe it's some disorder.. or Suggestions?
https://i.imgsafe.org/7cfbf83a38.jpg
Using just FLAT, CHIV,DFIX, and DANG from shelxpro doesn't work.
Thanks,
Francis
