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Syntax - XDIPolar or DIPOlar

 XDIP {<Dipolar coupling-statement>} END 
 <XDIPlar coupling-statement>:== 
  ASSIgn <sel> <sel> <sel> <sel> <sel> <sel> 
         <<real> <real> <real>> | <<real> <real> <real> <real> <real> <real>>
  {* atom i j k l m n Anis-obs  Anis-err-greater Anis-err-less*
  {* or *}
  {* atom i j k l m n obs1 err1-greater err1-less obs2 err2-greater err2-less*}
  {*    (second form for SUMDIF averaging) *}
  {* atom i j k l m n Anis-obs  Anis-err*}
  {* atom i = center, atom j = Z, atom k = X, atom l = Y *}
  CLASsification <name> ! Starts a new class. Applies to all 
  TYPE <FIXD|VARD> for fixed or variable distance
  SCALe <real> for scaling the coupling, for instance
  to scale HH dipolar to NH dipolar use 10.46847258
  SIGN <ON|OFF> to use the sign of dipolar coupling
  AVERage <SUM | SUMDIF | AVERAGE> | whether to use sum,sum_diff,
 or straight averaging
  COEFficient <real> <real> <real>
  coef: <DFS> <anisotropy> <rhombicity>
     !a0+a1*(3*cos(theta)^2-1)+a2*(3/2)*sin(theta)^2*cos(2*phi)
  DFS = a0, rhombicity = a2/a1, anisotropy = a1
  FORCeconstant <real> ! force const for all assignments in the
     ! current class. {default = 50} 
  NREStraints <integer> ! number of slots for Dipolar res 
     ! to allocate in memory {default = 200} 
  POTEntial <SQUAre | HARMonic> ! whether to use err or not
  PRINt THREshold <real> ! prints Dipol viol greater than 
     ! the specified value 
  RESEt  ! erases the Dipolar assignment table, but keeps 
     ! NREStraints the same.
Xplor-NIH 2025-03-21