Index

Restraints dictionary version 1.0

_restr_distance_min_G

Definition:

   The weight associated with the difference between
   the refined distance D and the prescribed minimum
   distance (B or F) is given by the expression

   w = A*(B/D)^C^ + E*exp((D-F)/G)

   A and E are dimensionless weighting parameters.
   Either function could be used alone by setting A or E to zero.
   The default values of A and E are zero.

   If A=0, B and C are undefined; if E=0, F and G are undefined.

   A hard-sphere contact can be generated by setting E=1,
   F=prescribed minimum distance and G=0.  In this case G
   (combined with a non-zero E) should be treated as a flag
   indicating a hard-sphere interaction with a target
   distance of F so as to avoid division by zero.

Appears in list containing restr_distance_min_atom_site_label_

Type: numb

Category: restr_distance_min