noe {<noe-statement>} end

<noe-statement> :==

   analysis=current|taverage|raverage
   --{Define which distances are used for analysis with the 
      print statement.}
   assign <atom-selection> <atom-selection> <real> <real> <real>
   --{1st-set  2nd-set  distance  dminus  dplus.}
   asymptote <classname> <real>
   --{Slope of asymptote.}
   averaging <classname> <r-3|r-6|sum|center>
   --{Method of distance averaging. Default=r-6}
   bhig <classname> <real>
   --{Height of barrier for high-dimension.}
   ceiling=<real>
   --{Ceiling value for energy constants.}
   class=<classname>
   --{Partition noe table, applies to all following assignment entries
      until another class entry is issued.}
   countviol <classname>
   --{Count violations and store smallest.}
   cv=<integer>
   --{Select partition number for cross-validation.}
   den initialize
   --{Initialize DEN restraints, i.e., set DEN reference_distance(s)
      to distance(s) in main coordinate set.}
   den update gamma=<real> kappa=<real>
   --{Update target_distance(s) using current target_distance(s),
      distance(s) (in main coordinate set), and DEN reference_distance(s):
      target_distance=target_distance+kappa*(
                gamma *(distance-target_distance)
            +(1-gamma)*(reference_distance-target_distance)
                ).       
      Gamma and kappa must be between 0 and 1.}
   distribute <classname> <classname> <real>
   --{Distribute between two classes: class-1 < r < class-2.}
   ensemble <noe-ensemble-statement> end
   --{}
   monomers <classname> <integer>
   --{Number of monomers for average=sum.}
   ncount <classname> <integer>
   --{Number of assignment statements for high-dimension.}
   nrestraints=<integer>
   --{Required parameter that specifies the maximum expected number 
      of noe-restraints. This has to be greater than or equal to the 
      actual number of restraints.}
   outd
   --{Writes current distance assignments to the print file 
      (specified by "set print=<filename> end"). This file
      can be subsequently read with "noe @<filename> end".}
   partition=<integer>
   --{Number of partitions for complete cross-validation.}
   potential <classname> biharmonic|square|softsquare|symmetry|high|3dpo
   --{Form of restraint potential.}
   predict <noe-predict-statement> end
   --{}
   print threshold=<real>
   --{Print noe violations greater than specified value.}
   raverage <classname> <noe-raverage-statement> end
   --{}
   reset
   --{Delete all previous noe restraints.}
   rswitch <classname> <real>
   --{Rswitch between square and asymptote.}
   scale <classname> <real>  
   --{s scales restraints class.}
   soexponent <classname> <real> 
   --{Exponent value for softsquare potential.}
   sqconstant <classname> <real>
   --{Force constant for square well potential.}
   sqexponent <classname> <real>
   --{Exponent for square well potential.}
   sqoffset <classname> <real>
   --{Offset for square well potential.}
   taverage <classname> <noe-taverage-statement> end
   --{}
   temperature=<real>
   --{for biharmonic potential.}

   --{Wildcards are allowed in the specification of classes. If no 
      class statement is issued the class defaults to nil.}