Re: [PyMOL] hydrogen-bonds detected in the protein-ligand complexes

[EDUARDO J. A. C. <ed...@ep...>]

Good Question
I like to know Too.
And about Hydrophobic interaction , Is it possible to show the
hydrophobic interactions on pymol too?

Em qui., 31 de mar. de 2022 às 06:49, Enrico Martinez <
jms...@gm...> escreveu:

> 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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