Macromolecular dictionary (mmCIF) version 2.0.09
Data items in the REFINE_OCCUPANCY category record details about the treatment of atom occupancies during refinement.Example:
Example 1 - based on PDB entry 5HVP and laboratory records for the
structure corresponding to PDB entry 5HVP.
loop_ _refine_occupancy.class _refine_occupancy.treatment _refine_occupancy.value _refine_occupancy.details 'protein' fix 1.00 . 'solvent' fix 1.00 . 'inhibitor orientation 1' fix 0.65 . 'inhibitor orientation 2' fix 0.35 ; The inhibitor binds to the enzyme in two alternative conformations. The occupancy of each conformation was adjusted so as to result in approximately equal mean thermal factors for the atoms in each conformation. ;
Mandatory category: no