[phenixbb] Rotamer error in real space refinement

[Pavel Afonine]

Hi Nikos,

what you describe is not expected and should not happen. This must be a 
bug or undesired behavior.

Can you please send me the map and model, along with .eff and .log files 
(off list). I will investigate once I have files.

Thanks!
Pavel

On 2/23/24 01:27, Nikos Pinotsis wrote:
> Hi,
>
> I am using real space refine with the latest phenix 1.21-5207 for fitting
> a model into a cryoEM map. During refiment one Trp goes clearly out of
> density (vertical to the density) although the map is very well defined at
> this part of the protein.
> I tried local_grid_search either for every cycle or last, however it
> didn't fix the problem.
> I know that this is reported a couple of years ago as fixed (dev-4218), I
> am wondering if something changed during the last version.
>
> Another solution I can think it to keep the side chain of this Trp fixed.
> How can I do that?
>
> thanks
> Nikos
>
>