Crystallographic Information Framework

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Index

Protein Data Bank exchange dictionary (pdbx) version 1.0521

Category PDBX_NMR_ENSEMBLE

Name:
'pdbx_nmr_ensemble'

Description:

   This category contains the information that describes the 
    ensemble of deposited structures. If only an average structure 
    has been deposited skip this section.

Example:

This example uses the data from the MCP-1 study. 
 
  loop_
  _pdbx_nmr_ensemble.entry_id
  _pdbx_nmr_ensemble.conformers_calculated_total_number
  _pdbx_nmr_ensemble.conformers_submitted_total_number
  _pdbx_nmr_ensemble.conformer_selection_criteria
  _pdbx_nmr_ensemble.representative_conformer
   1ABC 40  20  'structures with the least restraint violations'  1


Category groups:
    inclusive_group
    pdbx_group
Category key:
    _pdbx_nmr_ensemble.entry_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.