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Item _chem_link_chir.volume_three


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Description 


              The chiral volume, V(c), for chiral centers 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_link_chir.atom_id to the first atom in the
                    CHEM_LINK_CHIR_ATOM list
               V2 = the vector distance from the atom specified by
                    _chem_link_chir.atom_id to the second atom in the
                    CHEM_LINK_CHIR_ATOM list
               V3 = the vector distance from the atom specified by
                    _chem_link_chir.atom_id to the third atom in the
                    CHEM_LINK_CHIR_ATOM list
               *  = the vector dot product
               X  = the vector cross product

Category

chem_link_chir

Mandatory Code

no

Data Type Code

float

Units

angstroms_cubed

Related Items

Related Item Related Function
_chem_link_chir.volume_three_esd associated_esd

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