[phenixbb] Phenix.refine question

Pavel Afonine pafonine at lbl.gov
Wed Mar 23 11:08:02 PDT 2022


Hi Laurie,

as others suggested please try the same refinement using the latest 
version of Phenix. If that does not help please send me all inputs off 
list and I will investigate.

Pavel

On 3/18/22 13:11, Mark Saper wrote:
> Laurie,
>
> Really bizarre.  The experts will have more info, I hope.  When you 
> model the Tyr in the posiive density, is the geometry satisfactory 
> (including main-chain)?  If so, then you might try turning off real 
> space refinement and see what happens.  Check the occupancies of the 
> Tyr also.
>
> -Mark
> _____________________
> *Mark A. Saper, Ph.D.*
> Associate Professor Emeritus of Biological Chemistry
> University of Michigan Medical School
> saper at umich.edu |  +1 734 276 6505
>
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