[phenixbb] pdbtools: how to set the occupancy for an atom selection?

Pavel Afonine pafonine at lbl.gov
Mon Apr 13 08:26:16 PDT 2015


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
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