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).