With pymol and this plugin you can quickly visualise a binding pocket and make pictures like this one ...
... or this one ...
... or this one.
Active Learning Potentials for Photophysics
-
A new AI-powered protocol learns excited states with accuracy that finally
makes it practical. In brief: Simulating what molecules do after absorbing
light...
2 days ago
3 comments:
Ok, I added changing the orientation of the plane to my TODO list on that script. Also a plane preview would be nice(using PyMols CGO). Any other wishes?
]:)
hi, actually I just ment to say that it is a nice thing that this plane is automatically chosen according to the viewing perspective. of course it would also be fun to see this plane but not necessary.
one thing you could do, is that you cannot only use selections but also objects for the ligand and pocket (my ligand was an object because I wanted to change it separately from the protein). but of course it is no problem either to create a selection
anyway, I think that plugin is very nice as it is
Hi! You are right about adding the object support. I wonder why I haven't thought of this earlier. I've already implemented this feature it in the new version of the plugin.
I'll probably implement the rest of my ideas on this weekend, when i have more time for it. So stay tuned.
PS. I hope with a little help of this tool we will see here binding site images more often ]:)
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