predict <xray-predict-statement> end

<xray-predict-statement> :==

  mode=real|reciprocal|ff2|dtarget
  --{Type of data to predict:
     - real computes electron density map from selected coordinates.
     - reciprocal computes structure factors from selected coordinates.
     - ff2 computes the sum of squared atomic form factors from selected
       coordinates, i.e. sum(f_i^2).
     - dtarget(<reciprocal-space-object>)computes:
         d target/ d<reciprocal-space-object>
       note: target and dtarget(<reciprocal-space-object>) must be defined.
       note: <reciprocal-space-object> will be computed from the specified
             atom selection, the atom selection defined by associate is 
             not used.
     The default data type is: real}
  to=<xray-object>
  --{Destination for predicted data. Use:
     - <real-space-object> for mode=real
     - <reciprocal-space-object> for mode=reciprocal, mode=ff2 or mode=dtarget
     If mode=reciprocal the object must be of type complex.
     If mode=dtarget the object must be of type complex.
     If mode=ff2 the object must be of type real.}
  selection=<xray-selection>
  --{Structure factor selection for mode=reciprocal or mode=dtarget. 
     Default=(none)}
  atomselection=<atom-selection>
  --{Selected atoms for prediction. Default=(none)}