[phenixbb] Trouble with occupancy refinement

Chris Fage cdfage at gmail.com
Fri Feb 5 09:02:03 PST 2016


I've built several glucose molecules from my cryosolution into regions
of weaker electron density. Attempting to refine the occupancies of the
corresponding atoms, I set the value of each to 0.25 in the pdb file.
However, after running phenix.refine, most of the atoms still have
occupancies of 1.00:

14 atoms with occ = 0.00
5 atoms with 0.00 < occ < 1.00
74 atoms with occ = 1.00

Is this unusual?

Thank you!

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