Crystallographic Information Framework

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Index

Restraints dictionary version 1.0

Category RESTR_EQUAL_DISTANCE

Name:
'_restr_equal_distance_[]'

Definition:

   Items in this category list the atoms defining the distances
   that are restrained to be equal in the final refinement.

Example:

Example 1. 
 
    loop_
    _restr_equal_distance_atom_site_label_1
    _restr_equal_distance_site_symmetry_1
    _restr_equal_distance_atom_site_label_2
    _restr_equal_distance_site_symmetry_2
    _restr_equal_distance_class_id
    _restr_equal_distance_details
      C1 1_555  C2 1_555  1  'C1-C2 and C3-C4 are restrained to be equal'
      C2 1_555  C3 1_555  2  'C2-C3, C4-C5 and C5-C6 are restrained to be equal'
      C3 1_555  C4 2_655  1  ?
      C4 1_555  C5 1_555  2  ?
      C5 1_555  C6 1_555  2  ?


Type: null

Category: category_overview


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.