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Item _atom_site_anisotrop.U[1][1] and related items are
defined in the PDBx/mmCIF and mmCIF dictionaries in the same way as in the core CIF dictionary - as Uuvrs (U in the reciprocal space vectors basis).
In the wwPDB the actual values stored in these tags are Ucart (in the Cartesian basis) - similarly to the PDB ANISOU.
Item
_atom_site_anisotrop.U[1][1]
and related items aredefined in the PDBx/mmCIF and mmCIF dictionaries in the same way as in the core CIF dictionary - as Uuvrs (U in the reciprocal space vectors basis).
In the wwPDB the actual values stored in these tags are Ucart (in the Cartesian basis) - similarly to the PDB ANISOU.
The symbols above are from paper by RWGK and Adams (2002).
In "Biomolecular Crystallography", page 641, B. Rupp uses symbol Ucif instead of Uuvrs, but he also states that mmCIF files use Ucif not Ucart.
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