[phenixbb] Phenix.Refine fix WXC has no effect

Pavel Afonine pafonine at lbl.gov
Mon Aug 17 12:45:04 PDT 2020

Hi Mark,

> I am refining a 3.5 Å structure using the latest stable version of 
> Phenix.Refine. After switching to the latest version the Bond RMSDs 
> exploded to ~ 0.035 Å, when using optimize wxc.  Turning off Optimize 
> and using the "Fix WXC" parameters in the GUI with increasingly 
> smaller values had almost no effect on the final bond rmsds, which 
> seems to explode from reasonable values in the "3_xyz" step of 
> refinement.  Am I missing something?

does this happen in one of the latest nightly builds? I fixed a few bugs 
shortly after the official release and I think these may be related.

If you are still seeing this problem please send me inputs and I will 


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