Protein Data Bank exchange dictionary (pdbx) version 1.0521

Category PDBX_VALIDATE_SYMM_CONTACT

Name:
'pdbx_validate_symm_contact'

Description:

   Data items in the PDBX_VALIDATE_SYMM_CONTACT category list the
    atoms within the entry that are in close contact with regard
    the distances expected from either covalent bonding or closest
    approach by van der Waals contacts. Contacts with
    for symmetry related contacts are considered.
    For those contacts not involving hydrogen a limit of
    2.2 Angstroms is used. For contacts involving a hydrogen atom 
    a cutoff of 1.6Angstrom is used.

Example:

Example 1

 
loop_
_pdbx_validate_symm_contact.id
_pdbx_validate_symm_contact.PDB_model_num
_pdbx_validate_symm_contact.auth_atom_id_1
_pdbx_validate_symm_contact.auth_asym_id_1
_pdbx_validate_symm_contact.auth_comp_id_1
_pdbx_validate_symm_contact.auth_seq_id_1
_pdbx_validate_symm_contact.PDB_ins_code_1
_pdbx_validate_symm_contact.label_alt_id_1
_pdbx_validate_symm_contact.site_symmetry_1
_pdbx_validate_symm_contact.auth_atom_id_2
_pdbx_validate_symm_contact.auth_asym_id_2
_pdbx_validate_symm_contact.auth_comp_id_2
_pdbx_validate_symm_contact.auth_seq_id_2
_pdbx_validate_symm_contact.PDB_ins_code_2
_pdbx_validate_symm_contact.label_alt_id_2
_pdbx_validate_symm_contact.site_symmetry_2
_pdbx_validate_symm_contact.dist
  1     1   O    .  HOH     70  .  .    1555   O    .  HOH     70  .  .    7555       2.05

Category groups:
    inclusive_group
    validate_group
    pdbx_group
Category key:
    _pdbx_validate_symm_contact.id

Mandatory category: no

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Crystallographic Information Framework

Protein Data Bank exchange dictionary (pdbx) version 1.0521

Category PDBX_VALIDATE_SYMM_CONTACT

International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

Edited by S. R. Hall and B. McMahon

IUCrData