[Question]: gmx_mmpbsa_ana shuts down when pymol is requested

[thepineapplepirate]

My Question is...

Hello, great software! I'm having issues getting pymol to open when running gmx_mmpbsa_ana. What I am experiencing is similar to what is discussed here https://groups.google.com/g/gmx_mmpbsa/c/NGms0XAB60s. I followed the suggestions here, but I believe they may not work now with newer package versions. In particular, there is an issue with the Qt library when both pymol and gmx_mmpbsa is installed in the same environment. Any help would be much appreciated. Thanks!

[thepineapplepirate]

Here is a copy of the error:

qt.qpa.plugin: Could not find the Qt platform plugin "cocoa" in "/Users/raubenb/opt/miniconda3/envs/gmxMMPBSA_pymol/lib"
This application failed to start because no Qt platform plugin could be initialized. Reinstalling the application may fix this problem.

Abort trap: 6

I have followed your latest instructions from https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/installation/#extra-dependencies

and doing a basic conda install of pymol via

conda install -c conda-forge pymol-open-source

Thanks!

[Valdes-Tresanco-MS]

Thanks for reporting it, I'll check it out. We haven't tested version 3.1 of Pymol (which is the most recent version installed). Try creating a new environment and installing version 2.5.

conda install conda-forge::pymol-open-source=2.5

[thepineapplepirate]

Thank you! Will try that. You guys did an awesome job with this package. I'm looking forward to using the pymol plugin to further visualize the residue "hot spots".