Crystallographic Information Framework

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Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category CHEM_LINK_BOND

Name:
'chem_link_bond'

Description:

   Data items in the CHEM_LINK_BOND category record details about
   bonds in a link between components in the chemical structure.

Example:

Example 1 - Engh & Huber parameters [Acta Cryst. (1991), A47, 392-400] as interpreted by J. P. Priestle (1995). Consistent Stereochemical Dictionaries for Refinement and Model Building. CCP4 Daresbury Study Weekend, DL-CONF-95-001, ISSN 1358-6254. Warrington: Daresbury Laboratory. 
 
    loop_
    _chem_link_bond.link_id
    _chem_link_bond.value_dist
    _chem_link_bond.value_dist_esd
    _chem_link_bond.atom_id_1
    _chem_link_bond.atom_1_comp_id
    _chem_link_bond.atom_id_2
    _chem_link_bond.atom_2_comp_id
     PEPTIDE  1.458  0.019  N  1  CA 1
     PEPTIDE  1.525  0.021  CA 1  C  1
     PEPTIDE  1.329  0.014  C  1  N  2
     PEPTIDE  1.231  0.020  C  1  O  1


Category groups:
    inclusive_group
    chem_link_group
Category keys:
    _chem_link_bond.link_id
    _chem_link_bond.atom_id_1
    _chem_link_bond.atom_id_2

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.