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Protein Data Bank exchange dictionary (pdbx) version 1.0521
Category PDBX_NMR_ENSEMBLE_RMS
Name:'pdbx_nmr_ensemble_rms'
Description:
Structural statistics are derived from molecular dynamics and simulated annealing programs.Example:
This example is derived from the MCP-1 structure calculation statistics.
For this structure the statistics were calculated over residues 5-69 for
both the monomer and dimer .
loop_ _pdbx_nmr_ensemble_rms.entry_id _pdbx_nmr_ensemble_rms.residue_range_begin _pdbx_nmr_ensemble_rms.chain_range_begin _pdbx_nmr_ensemble_rms.residue_range_end _pdbx_nmr_ensemble_rms.chain_range_end _pdbx_nmr_ensemble_rms.atom_type _pdbx_nmr_ensemble_rms.distance_rms_dev _pdbx_nmr_ensemble_rms.distance_rms_dev_error 1ABC 5 A 69 A 'all heavy atoms' 0.22 0.06 |
Category groups:
inclusive_group
pdbx_group
Category key:
_pdbx_nmr_ensemble_rms.entry_id
Mandatory category: no
International Tables for Crystallography
Volume G: Definition and exchange of crystallographic data
Edited by S. R. Hall and B. McMahon
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An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.
