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Category chem_comp_chir

Category Description

              Data items in the CHEM_COMP_CHIR category provide details about
               the chiral centres in a chemical component. The atoms bonded
               to the chiral atom are specified in the CHEM_COMP_CHIR_ATOM
               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_chir.comp_id
    _chem_comp_chir.id
    _chem_comp_chir.atom_id
      phe  phe1  CA
      val  val1  CA
    # - - - - data truncated for brevity - - - -




Key Category Items

• _chem_comp_chir.comp_id
• _chem_comp_chir.id



Items in Category chem_comp_chir

Item Name	Mandatory Code
_chem_comp_chir.atom_config	no
_chem_comp_chir.atom_id	yes
_chem_comp_chir.comp_id	yes
_chem_comp_chir.id	yes
_chem_comp_chir.number_atoms_all	no
_chem_comp_chir.number_atoms_nh	no
_chem_comp_chir.volume_flag	no
_chem_comp_chir.volume_three	no
_chem_comp_chir.volume_three_esd	no

 

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