Smith,

would you mind changing a subject line when changing the topic of conversation? Your question below has a little to do with "pdbtools: how to set the occupancy for an atom selection?".

By the way, will you please let me know from which step we have the b-factors in the PDB files? Do the b-factors change with the progression of phenix refinement?

They may be set to a value or stem from a refinement run.

Here is another attempt at convincing you to some reading about basics:

http://journals.iucr.org/d/issues/2012/04/00/ba5180/ba5180.pdf

Pavel