Crystallographic Information Framework

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Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category SYMMETRY_EQUIV

Name:
'symmetry_equiv'

Description:

   Data items in the SYMMETRY_EQUIV category list the
   symmetry-equivalent positions for the space group.

Example:

Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP. 
 
    loop_
    _symmetry_equiv.id
    _symmetry_equiv.pos_as_xyz
      1  '+x,+y,+z'
      2  '-x,-y,z'
      3  '1/2+x,1/2-y,-z'
      4  '1/2-x,1/2+y,-z'


Category groups:
    inclusive_group
    symmetry_group
Category key:
    _symmetry_equiv.id

Mandatory category: no


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.