fix
Fix occupancy, xzy or Uiso
{occu, xyz, Uiso} [atoms]
Fixes the specified refinement parameter, i.e. these parameters will not be refined in subsequent refinement cycles.
- -occu: will fix the occupancy
- -xyz: will fix the xyz coordinates
- -Uiso: will fix the whole ADP
>>fix occu 0.5: will set and fix the occupancy of the current selection to 0.5>>fix xyz: will fix the x, y and z co-ordinates of the currently selected atoms (i.e. not refine them).