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Category chem_link_bond

Category Description

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




Category Examples




Example 1:

    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




Key Category Items

• _chem_link_bond.link_id
• _chem_link_bond.atom_id_1
• _chem_link_bond.atom_id_2



Items in Category chem_link_bond

Item Name	Mandatory Code
_chem_link_bond.atom_1_comp_id	no
_chem_link_bond.atom_2_comp_id	no
_chem_link_bond.atom_id_1	yes
_chem_link_bond.atom_id_2	yes
_chem_link_bond.link_id	yes
_chem_link_bond.value_dist	no
_chem_link_bond.value_dist_esd	no
_chem_link_bond.value_order	no

 

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