Hi All,
there was a bug at some point that could potentially lead to this.
This all should be fixed in current Phenix nightly builds:
http://phenix-online.org/download/nightly_builds.cgi
If not, get back to us (phenixbb or Phenix help lists or reply directly to
me).
Pavel
On Mon, Oct 19, 2020
ers
Phil Jeffrey
Princeton
From: CCP4 bulletin board on behalf of Paul
Emsley
Sent: Monday, October 19, 2020 2:58 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Tyr pushed out during refinement
On 19/10/2020 19:52, Boniecki, Michal wrote:
I h
Dear Michael
I would carefully check the backbone region around the tyrosine and make sure
it’s correct as errors there might be the issue.
Regards
Christine
Sent from my iPhone
> On Oct 19, 2020, at 11:52 AM, Boniecki, Michal
> wrote:
>
>
> Hello,
> I have a problem during refining with o
020 2:58 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Tyr pushed out during refinement
On 19/10/2020 19:52, Boniecki, Michal wrote:
I have a problem during refining with one of the Tyr residues. It is constantly
pushed out of the position during refinement in all 4 chains in ASU.
I have
You dont say what resolution your data goes to - certainly REFMAC and I
guess PHENIX have restraints to prevent van der waal clashes.
If there is high resolution data then these restraints can be overridden to
some extent. Maybe set the occupancy of the PRO C=O to 0.0 and see where
the TYR finishes
On 19/10/2020 19:52, Boniecki, Michal wrote:
I have a problem during refining with one of the Tyr residues. It is
constantly pushed out of the position during refinement in all 4
chains in ASU.
I have tried to exclude it from refinement in phenix but it is refined
anyway out of the position
