PDBx/mmCIF
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Data Category geom_torsion

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General

Category name
geom_torsion
Required in PDB entries
no
Category group membership
geom_group
Used in current PDB entries
No

Category Relationship Diagrams

70
View full category relationship diagram including all dictionary data categories

Category Description 

               Data items in the GEOM_TORSION category record details about
               molecular and crystal torsion angles, as calculated from the
               contents of the ATOM, CELL, and SYMMETRY data.

               The vector direction _geom_torsion.atom_site_id_2 to
               _geom_torsion.atom_site_id_3 is the viewing direction, and the
               torsion angle is the angle of twist required to superimpose the
               projection of the vector site2-site1 onto the projection of the
               vector site3-site4. Clockwise torsions are positive,
               anticlockwise torsions are negative.

               Ref: Klyne, W. & Prelog, V. (1960). Experientia, 16, 521-523.

Category Example

View/hide Example 
 
     loop_
    _geom_torsion.atom_site_id_1
    _geom_torsion.atom_site_id_2
    _geom_torsion.atom_site_id_3
    _geom_torsion.atom_site_id_4
    _geom_torsion.value
    _geom_torsion.site_symmetry_1
    _geom_torsion.site_symmetry_2
    _geom_torsion.site_symmetry_3
    _geom_torsion.site_symmetry_4
    _geom_torsion.publ_flag
     C(9)    O(2)    C(7)    C(2)    71.8  .  .  .  .      yes
     C(7)   O(2)    C(9)    C(10)  -168.0  .  .  .  2_666  yes
     C(10)   O(3)    C(8)    C(6)  -167.7  .  .  .  .      yes
     C(8)    O(3)    C(10)   C(9)   -69.7  .  .  .  2_666  yes
     O(1)    C(1)    C(2)    C(3)  -179.5  .  .  .  .      no
     O(1)    C(1)    C(2)    C(7)    -0.6  .  .  .  .      no

Key Data Items

Category Data Items

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