Restraints dictionary version 1.0

Category RESTR_DISTANCE_MIN

Name:
'_restr_distance_min_[]'

Definition:

   Items in this category offer power-law and exponential
   expressions for a function designed to prevent two atoms
   occupying the same location.

Example:

Example 1.

 
   loop_
   _restr_distance_min_atom_site_label_1
   _restr_distance_min_site_symmetry_1
   _restr_distance_min_atom_site_label_2
   _restr_distance_min_site_symmetry_2
   _restr_distance_min_A
   _restr_distance_min_B
   _restr_distance_min_C
   _restr_distance_min_E
   _restr_distance_min_F
   _restr_distance_min_G
   _restr_distance_min_distance
   _restr_distance_min_details
     O1 1_555 O2 1_555 0 . . 1 2.8 0.3 2.75(1) 'using the exponential restraint'
     O2 1_555 O3 2_455 0 0 0 1 2.8 0   2.83(1) 'using the hard sphere model'

Type: null

Category: category_overview

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Crystallographic Information Framework

Restraints dictionary version 1.0

Category RESTR_DISTANCE_MIN

International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

Edited by S. R. Hall and B. McMahon

IUCrData