[phenixbb] Phenix/Coot issue

Xavier Brazzolotto xbrazzolotto at gmail.com
Thu Apr 28 10:29:21 PDT 2022


Dear Phenix and Coot users and developers

I've recently observed a kind of conflict between Phenix and Coot.

I am using Phenix v1.20.1-4487 and Coot 0.9.8.1 from thee CCP4 8.0 suite under macOS Monterey (v12.3.1).

If I launch Coot through Phenix via the « Open in Coot » of a refine job for example (the path to Coot has been defined in Phenix preferences), Coot opens correctly and displays the structure with the « Connected to Phenix tab". However if I wand to do some RSR then I get an error message stating "Refinement setup failure » : « Failed to find restraints for » and a list of the residues involved in RSR.

In parallel if I use Coot by itself (launched through the terminal), RSR works well… but upon opening Coot states that there is some "Nomenclature errors » with a list of different residues.

I wonder if there would be some conflict between residue libraries between Phenix and Coot ?

Just to leet you know I’ve also recently tried to install/comlplie the Coot v1 pre-version to have a loot at it and I do also have libccp4 installed in my Homebrew. Maybe everything comes from that ?

Xavier


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