17 Aug
2020
17 Aug
'20
7:45 p.m.
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 investigate. Pavel