[phenixbb] Query re individual sites (real space)

Oliver Clarke olibclarke at gmail.com
Mon Dec 20 12:58:54 PST 2021


While refining an X-ray structure using phenix.refine (v1.20-4444), I get the attached table during real-space refinement of coordinates. What are the criteria for selecting the correct weighting factor? 

I assumed it would be the delta between R/Rfree and/or the clash score, but it doesn't seem to exactly match either in this table (and the same for other iterations of refinement). Is it just incorrectly writing the clash score in the "Accepted refinement result" line? Shouldn't this match the line from the selected weight (here 0.125 so should be 6.1, not 7.1)?

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20211220/d1e18ea8/attachment-0001.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: PastedGraphic-1.png
Type: image/png
Size: 175415 bytes
Desc: not available
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20211220/d1e18ea8/attachment-0001.png>

More information about the phenixbb mailing list