[phenixbb] Residual B values after refinement

Pavel Afonine pafonine at lbl.gov
Tue Feb 6 07:36:16 PST 2018

Hi Anan,

could you please send me files relevant to the refinement run that 
resulting in PDB file in question? Specifically:
- input/output models;
- log file;
- *.eff file.


On 2/6/18 05:26, ANAN YUENYAO wrote:
> Dear All,
> I have encountered some error during the PDB validation process after 
> refinement with PHENIX (1.13). After uploading the coordinates and 
> structure factor file, in the header 'Basic coordinate validity', it 
> says that the data contains residual B values. Could anyone please 
> explain the reason behind this error message. Is it going to be 
> problematic for the future PDB deposition?
> P.S. I have already performed TLS and group B-factor refinement.

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