I’m preparing an MSc tutorial using analysis on nmrbox to analyse some titration data. I’ve set up paths to pymol, which tests ok, and put in the path to the pdb file, but when I click the button to open the molecular viewer nothing happens! nmrbox is running v3.2.5.
Hi,
nmrbox are slightly behind with their versions. But I did mention it to them the other day and the latest VMs (cobalt, zinc, copper, gallium and neon) should now be on 3.2.11. (I’ve checked copper, so the other four should be the same.) So you will have to make sure that your students are using the right VMs and then hopefully you’ll get the latest CSP features.
Vicky
Sorry - just realised the link with Pymol still doesn’t seem to be working (though for CSP stuff you should still definitely use 3.2.11!). Will look into this further.
Vicky
So it looks like this is not entirely straight forward. Luca did manage to get something sorted for the course we ran in Sweden last year, but we used a bespoke version of the program with some new features on that course. We haven’t yet got the issue sorted more generally. I’ll make sure it goes on our bug list.
What we recommend doing for now is opening PyMol separately. When you click on the button in Analysis it creates a script which is stored in YourProject.ccpn/scripts/pymol/ folder. In PyMol you can then go to File / Run scripts… and run this and it will load and colour your molecule.
Vicky