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Category chem_comp_tor

Category Description

              Data items in the CHEM_COMP_TOR category record details about
               the torsion angles in a chemical component. As torsion angles
               can have more than one target value, the target values are
               specified in the CHEM_COMP_TOR_VALUE category.




Category Examples




Example 1:

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




    loop_
    _chem_comp_tor.comp_id
    _chem_comp_tor.id
    _chem_comp_tor.atom_id_1
    _chem_comp_tor.atom_id_2
    _chem_comp_tor.atom_id_3
    _chem_comp_tor.atom_id_4
      phe  phe_chi1   N    CA   CB   CG
      phe  phe_chi2   CA   CB   CG   CD1
      phe  phe_ring1  CB   CG   CD1  CE1
      phe  phe_ring2  CB   CG   CD2  CE2
      phe  phe_ring3  CG   CD1  CE1  CZ
      phe  phe_ring4  CD1  CE1  CZ   CE2
      phe  phe_ring5  CE1  CZ   CE2  CD2




Key Category Items

• _chem_comp_tor.comp_id
• _chem_comp_tor.id



Items in Category chem_comp_tor

Item Name	Mandatory Code
_chem_comp_tor.atom_id_1	yes
_chem_comp_tor.atom_id_2	yes
_chem_comp_tor.atom_id_3	yes
_chem_comp_tor.atom_id_4	yes
_chem_comp_tor.comp_id	yes
_chem_comp_tor.id	yes

 

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