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.
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.