Uniquely identifies an atom, i.e. even accross models in a mmCIF file.
The fraction of the atom type present at this site. The sum of the occupancies of all the atom types at this site may not significantly exceed 1.0 unless it is a dummy site.
The x coordinate in angstroms specified according to a set of orthogonal Cartesian axes.
Are xyz coordinates defined?
The y coordinate in angstroms specified according to a set of orthogonal Cartesian axes.
The z coordinate in angstroms specified according to a set of orthogonal Cartesian axes.
Generated using TypeDoc
Isotropic atomic displacement parameter, or equivalent isotropic atomic displacement parameter, B
eq, calculated from the anisotropic displacement parameters.