Dear Pymol users!
Another question related to the analysis of the multi-model pdb
obtained from protein-ligand docking calculations.
I am using pymol to visualise protein-ligand interactions between each
pose predicted by docking and protein in my script:
preset.ligand_cartoon('my_pdb*',_self=cmd)
then I may use the following command to switch to the state in
multi_model pdb, which could be important:
cmd.set('state','5','my_pdb*')
Is it possible to print the number of the state which has
1) the maximal number of the hydrogen bonds?
2) has a particular hydrogen bond of my interest?
Cheers,
Enrico
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