Crystallographic Information Framework

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Index

Restraints dictionary version 1.0

Category RESTR_TORSION

Name:
'_restr_torsion_[]'

Definition:

   Items in this category define torsion angles that were
   restrained in the final refinement.

Example:

Example 1. An example of a torsion angle restrained to 90+/-1 degree with a refined difference of 0.97 degrees. 
 
    _restr_torsion_atom_site_label_1
    _restr_torsion_site_symmetry_1
    _restr_torsion_atom_site_label_2
    _restr_torsion_site_symmetry_2
    _restr_torsion_atom_site_label_3
    _restr_torsion_site_symmetry_3
    _restr_torsion_atom_site_label_4
    _restr_torsion_site_symmetry_4
    _restr_torsion_angle_target
    _restr_torsion_weight_param
    _restr_torsion_diff
    _restr_torsion_details
         Na1 1_555  Na1 2_555  O1 2_555  H101 1_555  90  1  0.97  ?


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.