Hi Leonid,


The phenix documentation might be outdated. The documentation of ISOLDE has recommended running phenix.real_space_refine for a long time now, precisely to refine the atomic B-factors (that ISOLDE does not refine). I trust that Tristan (ISOLDE's author) would not recommend doing this if it didn't produce a correct result.


I hope this helps,


Guillaume

From: Leonid Sazanov <[email protected]>
Sent: Friday, October 4, 2024 4:48:56 PM
To: PHENIX user mailing list
Subject: [phenixbb] real space refine ADPs
 
Hi, according to online description phenix.real_space_refine should
refine only group ADPs per residue.
However, in practice after the run with ADP included in strategy the
recent versions refine individual B-factors per atom. They seem to look
OK, but I wonder if this is a beta feature or fully implemented by now?
Many thanks
Leonid


--
Prof. Leonid Sazanov FRS
Institute of Science and Technology Austria (ISTA)
Am Campus 1
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Phone: +43 2243 9000 3026
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