One way to compare interactions (pharmacophores) in a binding site is to use interaction fingerprints. I've had a good experience with ProLIF. https://github.com/chemosim-lab/ProLIF
On Tue, Mar 29, 2022 at 6:26 AM Muhammad Akram <muhammad.ak...@outlook.com> wrote: > Hello Everybody, > > > > I am looking if there is a way to extract a pharmacophore from > co-crystallized ligand using RDKit. > > > > Thank you so much in advance. > > > > Kind Regards, > > Mu > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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