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Index

Protein Data Bank exchange dictionary (pdbx) version 1.0521

Category PDBX_VALIDATE_RMSD_ANGLE

Name:
'pdbx_validate_rmsd_angle'

Description:

   Data items in the PDBX_VALIDATE_RMSD_ANGLE category list the
    the covalent bond angles found in an entry that have
    values which deviate from expected values by more
    than 6*rmsd for the particular entry from the expected standard
    value

Example:

Example 1 
 
loop_
_pdbx_validate_rmsd_angle.id
_pdbx_validate_rmsd_angle.PDB_model_num
_pdbx_validate_rmsd_angle.auth_asym_id_1
_pdbx_validate_rmsd_angle.auth_atom_id_1
_pdbx_validate_rmsd_angle.auth_comp_id_1
_pdbx_validate_rmsd_angle.auth_seq_id_1
_pdbx_validate_rmsd_angle.PDB_ins_code_1
_pdbx_validate_rmsd_angle.label_alt_id_1
_pdbx_validate_rmsd_angle.auth_asym_id_2
_pdbx_validate_rmsd_angle.auth_atom_id_2
_pdbx_validate_rmsd_angle.auth_comp_id_2
_pdbx_validate_rmsd_angle.auth_seq_id_2
_pdbx_validate_rmsd_angle.PDB_ins_code_2
_pdbx_validate_rmsd_angle.label_alt_id_2
_pdbx_validate_rmsd_angle.auth_asym_id_3
_pdbx_validate_rmsd_angle.auth_atom_id_3
_pdbx_validate_rmsd_angle.auth_comp_id_3
_pdbx_validate_rmsd_angle.auth_seq_id_3
_pdbx_validate_rmsd_angle.PDB_ins_code_3
_pdbx_validate_rmsd_angle.label_alt_id_3
_pdbx_validate_rmsd_angle.angle_deviation
_pdbx_validate_rmsd_angle.angle_value
_pdbx_validate_rmsd_angle.linker_flag
 1  0 A  NE  ARG   35 . .  A  CZ  ARG   35 . .  A  NH2 ARG   35 . .      -3.14   117.16  N
 2  0 A  CB  GLU  166 . .  A  CG  GLU  166 . .  A  CD  GLU  166 . .      34.68   148.88  N


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