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Category pdbx_nmr_ensemble_rms

Category Description

 Structural statistics are derived from molecular dynamics and simulated annealing 
  programs. 




Category Examples




Example 1:

  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




Key Category Items

• _pdbx_nmr_ensemble_rms.entry_id



Items in Category pdbx_nmr_ensemble_rms

Item Name	Mandatory Code
_pdbx_nmr_ensemble_rms.atom_type	no
_pdbx_nmr_ensemble_rms.bond_angle_rms_dev	no
_pdbx_nmr_ensemble_rms.bond_angle_rms_dev_error	no
_pdbx_nmr_ensemble_rms.chain_range_begin	no
_pdbx_nmr_ensemble_rms.chain_range_end	no
_pdbx_nmr_ensemble_rms.coord_average_rmsd_method	no
_pdbx_nmr_ensemble_rms.covalent_bond_rms_dev	no
_pdbx_nmr_ensemble_rms.covalent_bond_rms_dev_error	no
_pdbx_nmr_ensemble_rms.dihedral_angles_rms_dev	no
_pdbx_nmr_ensemble_rms.dihedral_angles_rms_dev_error	no
_pdbx_nmr_ensemble_rms.distance_rms_dev	no
_pdbx_nmr_ensemble_rms.distance_rms_dev_error	no
_pdbx_nmr_ensemble_rms.entry_id	yes
_pdbx_nmr_ensemble_rms.improper_torsion_angle_rms_dev	no
_pdbx_nmr_ensemble_rms.improper_torsion_angle_rms_dev_error	no
_pdbx_nmr_ensemble_rms.peptide_planarity_rms_dev	no
_pdbx_nmr_ensemble_rms.peptide_planarity_rms_dev_error	no
_pdbx_nmr_ensemble_rms.residue_range_begin	no
_pdbx_nmr_ensemble_rms.residue_range_end	no

 

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