Index

Restraints dictionary version 3.1

Category RESTR_PARAMETER

Parent category:
CIF_RSTR

Definition:

   

      This restraint, which will normally be used to restrain
      the total occupancy of an atom site, can be used to
      restrain the value of
      SUM(over the specified atoms){\PARAMETER*COEFFICIENT\}
      where PARAMETER will usually be the value of the
      occupancy (but other allowed quantities such as x, y
      and z can be specified in the enumeration) and
      COEFFICIENT is a user-defined number with a default
      value of 1.0. The restraint requires two loops; the
      first defines the atoms in each sum (class) and the
      second describes the properties of the class.

Category is of type Loop