XmlmmCIF equivalent: cell
Data items in the CELL category record details about the
crystallographic cell parameters.
XmlmmCIF equivalent: cell/Z_PDB
The number of the polymeric chains in a unit cell. In the case
of heteropolymers, Z is the number of occurrences of the most
populous chain.
This data item is provided for compatibility with the original
Protein Data Bank format, and only for that purpose.
XmlmmCIF equivalent: cell/angle_alpha
Unit-cell angle alpha in degrees of the reported structure.
XmlmmCIF equivalent: cell/angle_alpha_esd
The estimated standard deviation of _cell.angle_alpha.
XmlmmCIF equivalent: cell/angle_beta
Unit-cell angle beta in degrees of the reported structure.
XmlmmCIF equivalent: cell/angle_beta_esd
The estimated standard deviation of _cell.angle_beta.
XmlmmCIF equivalent: cell/angle_gamma
Unit-cell angle gamma in degrees of the reported structure.
XmlmmCIF equivalent: cell/angle_gamma_esd
The estimated standard deviation of _cell.angle_gamma.
XmlmmCIF equivalent: cell/details
A description of special aspects of the cell choice, noting
possible alternative settings.
XmlmmCIF equivalent: cell/formula_units_Z
The number of the formula units in the unit cell as specified
by _chemical_formula.structural, _chemical_formula.moiety or
_chemical_formula.sum.
XmlmmCIF equivalent: cell/length_a
Unit-cell length a corresponding to the structure reported.
XmlmmCIF equivalent: cell/length_a_esd
The estimated standard deviation of _cell.length_a.
XmlmmCIF equivalent: cell/length_b
Unit-cell length b corresponding to the structure reported.
XmlmmCIF equivalent: cell/length_b_esd
The estimated standard deviation of _cell.length_b.
XmlmmCIF equivalent: cell/length_c
Unit-cell length c corresponding to the structure reported.
XmlmmCIF equivalent: cell/length_c_esd
The estimated standard deviation of _cell.length_c.
XmlmmCIF equivalent: cell/pdbx_unique_axis
To further identify unique axis if necessary. E.g., P 21 with
an unique C axis will have 'C' in this field.
XmlmmCIF equivalent: cell/volume
Cell volume V in angstroms cubed.
V = a b c (1 - cos^2^~alpha~ - cos^2^~beta~ - cos^2^~gamma~
+ 2 cos~alpha~ cos~beta~ cos~gamma~)^1/2^
a = _cell.length_a
b = _cell.length_b
c = _cell.length_c
alpha = _cell.angle_alpha
beta = _cell.angle_beta
gamma = _cell.angle_gamma
XmlmmCIF equivalent: cell/volume_esd
The estimated standard deviation of _cell.volume.
XmlmmCIF equivalent: cell/entry_id
This data item is a pointer to _entry.id in the ENTRY category.