just as an update of my first topic.
Is there any possibility to associate any plugin or external tool
(rdkit) to calculate pharmacophore model for each docking pose loaded
in multi-model format (i) as well as for the ligand in X-ray structure
(ii) and then compare i with ii in order to find instan
u using as this may already have RMSD to a
> reference ligand and presentation of best poses (based on scoring)
>
> Joel
>
> -Original Message-
> From: Enrico Martinez
> Sent: Friday, 25 March 2022 2:11 AM
> To: pymol-users
> Subject: [PyMOL] Analysis of dock
docking results in multi-model format
Dear Pymol Users!
I am dealing with the analysis of the results of protein-ligand docking poses
representing the multi-model pdb. I need to find a possibility (e.g. via some
script that could be executed in the pymol) to compare each docking pose with
the X-ray
Dear Pymol Users!
I am dealing with the analysis of the results of protein-ligand
docking poses representing the multi-model pdb. I need to find a
possibility (e.g. via some script that could be executed in the pymol)
to compare each docking pose with the X-ray structure (loaded as the
separate mo
