From: Enrico M. <jms...@gm...> - 2022-03-31 09:47:01
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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 |