Data Item _chem_comp_chir.volume_three

General

Item name
_chem_comp_chir.volume_three
Category name
chem_comp_chir
Attribute name
volume_three
Required in PDB entries
no
Used in currrent PDB entries
No

Item Description

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

Data Type

Data type code
float
Data type detail
float item types are the subset of numbers that are the floating numbers.
Primitive data type code
numb
Regular expression
-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?
Units
angstroms_cubed