A.15. 17 cons (D) Refinement Constraints

Packet Size - Variable

IDNDescription
1atom label1 of subject atom in cons
2parameter number of subject atom; 1 to 9 for x to U23
3multiplication factor of subject parameter
4constant, Q, in constraint equation
5constraint classification key2
6site multiplicity of subject atom
11atom label1 of the reference atom 1
12parameter number of reference atom 1; 1 to 9 for x to U23,
 0 for invariant
13multiplication factor for reference parameter of atom 1
21atom label of reference atom 2
22parameter number of reference atom 2
23multiplication factor for reference parameter of atom 2
. .. . . . . . . . . . . . . . .
n1-n3atom label, parameter, and multiplicity factor for atom n
  
 1 The general form of the constraint equation is: p(s)*f(s) = q + p(r1)*f(r1) + p(r2)*f(r2) + ... + p(rn)*f(rn) The ID numbers 1, 11, 21, etc. may appear in more than one word ifmore than one real word is required to store 24 chars.
 2 Constraint classification KEY = 1 CONSTRAINED Constraint classification KEY = 3 INVARIANT Constraint classification KEY = 4 Polar Axis Direction For a constraint of KEY = 4, the axis is stored in ID 2 as 1=a, 2=b,or 3=c. The rest of the packet is null.