Interactive pose visualization with interaction-distance clusterin

forlilab / Ringtail

Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina

GNU Lesser General Public License v2.1

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Interactive pose visualization with interaction-distance clusterin #22

Open mattholc opened 1 year ago

mattholc commented 1 year ago

It would be valuable to calculate tanimoto distances on interaction bit vectors and project these into a low-dimensional space so the clusters can be visualized. This can be integrated with the pymol based structural visualization so a user can iteratively visualize cluster members.