Pymol not opening from ChemShiftMapping module

Analysis Version 3
#1

Hello,
I need to use the ChemShiftMapping module, but I have problems with opening pymol. I added the pymol path according to your instructions, I tested it in the preferences window and apparently it is fine. But pymol does not open from the properties as soon as I add it. If I then move to the ChemShiftMapping module, and click on the icon, nothing happens. I don’t get any error message.
This happens on linux (Ubuntu 20.04).

I tried on windows and here everything works fine.

I would be really grateful if you could please suggest me how to proceed.

Thank you!
Francesca

#2

Hi Francesca,

This is odd. To get you going, you could generete first the script by clicking the “show on molecular viewer” button on the CSM module. Assuming you setup the PDB file path correctly in the settings, a new file will be created in your project folder. It will be “yourProject.ccpn/scripts/pymol/chemicalShiftMapping_Pymol_Template.py”. Open pymol, depending on your version, you should be able to just drag and drop (chemicalShiftMapping_Pymol_Template.py) on the canvas to run it and show the results…

#3

Hi Luca,
thank you for your reply.

Indeed, your procedure works and I can see the file with the correct structure and CSM generated data in pymol!
I will then keep this procedure for the future.

Thank you,
Francesca