Crystallographic Information Framework

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Index

Protein Data Bank exchange dictionary (pdbx) version 1.0521

Category PDBX_VALIDATE_RMSD_BOND

Name:
'pdbx_validate_rmsd_bond'

Description:

   Data items in the PDBX_VALIDATE_RMSD_BOND category list the
    covalent bonds that have values which deviate from expected 
    values by more than 6*rmsd.

Example:

Example 1 
 
loop_
_pdbx_validate_rmsd_bond.id
_pdbx_validate_rmsd_bond.PDB_model_num
_pdbx_validate_rmsd_bond.auth_asym_id_1
_pdbx_validate_rmsd_bond.auth_atom_id_1
_pdbx_validate_rmsd_bond.auth_comp_id_1
_pdbx_validate_rmsd_bond.auth_seq_id_1
_pdbx_validate_rmsd_bond.PDB_ins_code_1
_pdbx_validate_rmsd_bond.label_alt_id_1
_pdbx_validate_rmsd_bond.auth_asym_id_2
_pdbx_validate_rmsd_bond.auth_atom_id_2
_pdbx_validate_rmsd_bond.auth_comp_id_2
_pdbx_validate_rmsd_bond.auth_seq_id_2
_pdbx_validate_rmsd_bond.PDB_ins_code_2
_pdbx_validate_rmsd_bond.label_alt_id_2
_pdbx_validate_rmsd_bond.bond_deviation
_pdbx_validate_rmsd_bond.bond_value
_pdbx_validate_rmsd_bond.linker_flag
 1   0  A   CD   LYS    152  .  .    A   CE   LYS    152  .  .      -0.372     1.136  N
 2   0  A   CG   GLU    166  .  .    A   CD   GLU    166  .  .      -0.622     0.893  N


Category groups:
    inclusive_group
    validate_group
    pdbx_group
Category key:
    _pdbx_validate_rmsd_bond.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.