Index

Macromolecular dictionary (mmCIF) version 2.0.09

_chem_comp_chir.volume_three

Definition:

   The chiral volume, V~c~, for chiral centres that involve a chiral
   atom bonded to three non-hydrogen atoms and one hydrogen atom.

   V~c~ = V1 * (V2 X V3)

   V1 = the vector distance from the atom specified by
        _chem_comp_chir.atom_id to the first atom in the
        CHEM_COMP_CHIR_ATOM list
   V2 = the vector distance from the atom specified by
        _chem_comp_chir.atom_id to the second atom in the
        CHEM_COMP_CHIR_ATOM list
   V3 = the vector distance from the atom specified by
        _chem_comp_chir.atom_id to the third atom in the
        CHEM_COMP_CHIR_ATOM list
   *  = the vector dot product
   X  = the vector cross product

Type: float

Type conditions: esd

Mandatory item: no

Related item: _chem_comp_chir.volume_three_esd (associated_esd)

Category: chem_comp_chir