PDBx/mmCIF
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Data Category chem_comp_tor_value

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General

Category name
chem_comp_tor_value
Required in PDB entries
no
Category group membership
chem_comp_group
Used in current PDB entries
No

Category Relationship Diagrams

70
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Category Description 

               Data items in the CHEM_COMP_TOR_VALUE category record details
               about the target values for the torsion angles enumerated in the
               CHEM_COMP_TOR list. Target values may be specified as angles
               in degrees, as a distance between the first and fourth atoms, or
               both.

Category Example

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    loop_
    _chem_comp_tor_value.tor_id
    _chem_comp_tor_value.comp_id
    _chem_comp_tor_value.angle
    _chem_comp_tor_value.dist
      phe_chi1   phe  -60.0  2.88
      phe_chi1   phe  180.0  3.72
      phe_chi1   phe   60.0  2.88
      phe_chi2   phe   90.0  3.34
      phe_chi2   phe  -90.0  3.34
      phe_ring1  phe  180.0  3.75
      phe_ring2  phe  180.0  3.75
      phe_ring3  phe    0.0  2.80
      phe_ring4  phe    0.0  2.80
      phe_ring5  phe    0.0  2.80

Key Data Items

Category Data Items

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