Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category CHEM_LINK_ANGLE

Name:
'chem_link_angle'

Description:

   Data items in the CHEM_LINK_ANGLE category record details
   about angles in a link between chemical components.

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_angle.link_id
    _chem_link_angle.value_angle
    _chem_link_angle.value_angle_esd
    _chem_link_angle.atom_id_1
    _chem_link_angle.atom_1_comp_id
    _chem_link_angle.atom_id_2
    _chem_link_angle.atom_2_comp_id
    _chem_link_angle.atom_id_3
    _chem_link_angle.atom_3_comp_id
     PEPTIDE  111.2  2.8  N  1  CA 1  C  1
     PEPTIDE  120.8  1.7  CA 1  C  1  O  1
     PEPTIDE  116.2  2.0  CA 1  C  1  N  2
     PEPTIDE  123.0  1.6  O  1  C  1  N  2
     PEPTIDE  121.7  1.8  C  1  N  2  CA 2



Category groups:
    inclusive_group
    chem_link_group
Category keys:
    _chem_link_angle.link_id
    _chem_link_angle.atom_id_1
    _chem_link_angle.atom_id_2
    _chem_link_angle.atom_id_3

Mandatory category: no