Hi Dale,

I recently updated Phenix and CCP4 on iOS had a similar issues with
Phenix/Coot.

I fixed the issues with the restraint dictionary by directing Phenix to the
new location for Coot (in the CCP4 program libraries) in the Phenix
settings. This resolved the lack of restraints for every amino acid when
opened through Phenix. This also resolved opening coot when clicked in
Phenix. However, I was unable to get Phenix to actually open the file in
Coot.

I eventually gave up and have “manually” been opening the files in the Coot
pop-up window when I click Phenix. This pop-up of Coot also does not have
the “Connected to Phenix” status, similar to your issue.

Maybe what I did will provide some information to someone familiar with how
to resolve this Phenix issue. Alternatively, Coot and Phenix may just not
“play well together” in the newer versions.


The upgrade did not generate any issues for me in PyMOL, so I can’t be of
assistance there.

Best,

Nick Clark

On Tue, Jul 26, 2022 at 8:55 PM Dale C <
[email protected]> wrote:

> Hi all,
>
> I recently updated my ccp4 package to Program suite v8.0.002 and i have
> now run into a few issues with other programs. The issues are highlighted
> below...
>
> - When i click 'Open in Coot' on any output through Phenix (so far only
> tested phenix.refine and phenix.phaser), i no longer see anything open. Nor
> do i see the "Connected to Phenix" button in the toolbar on Coot.
>
> - The 'fetch' command in Pymol no longer works either (I have attached a
> screenshot of the error message here)
>
> - Coot also seems to have an issue with not loading the amino acid
> restraints so when i click real-space refine, i get the error 'unable to
> find restraints for residue x,y,z'.
>
> I feel they may be all related and my first thought is that it has
> something to do with my Python dependencies however I have no idea how to
> fix this or reinstall them.
>
> Does anyone have an idea if they are all related? Or how i might fix this?
>
> fyi I am using
> - ccp4 program suit v8.0.002
> - Coot 0.9.8.3
> - Phenix-1.20.1-4487
>
> Thanks in advance.
>
> Dale.
>
>
>
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-- 
Nicholas D. Clark
PhD Candidate
Malkowski Lab
University at Buffalo
Department of Structural Biology
Jacob's School of Medicine & Biomedical Sciences
955 Main Street, RM 5130
Buffalo, NY 14203

Cell: 716-830-1908

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