On 30/03/2022 03:49, Patrick Walters wrote:
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
Additionally, I know about all those open-source ones:
- https://pharmit.csb.pitt.edu/
- https://github.com/gertthijs/pharao
- https://github.com/DrrDom/pmapper
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 _______________________________________________
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