Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category CHEM_COMP_TOR_VALUE

Name:
'chem_comp_tor_value'

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.

Example:

Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP.
 
    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



Category groups:
    inclusive_group
    chem_comp_group
Category keys:
    _chem_comp_tor_value.tor_id
    _chem_comp_tor_value.comp_id

Mandatory category: no