Currently, we output all the residues that were used for the conformational space search, along with any that have flexed. This produces a crowded view of the environment around the ligand.
Let's exclude from the output any residues, that have not flexed, and are not bridged, that have no atoms within 5Å of any ligand atom.
Currently, we output all the residues that were used for the conformational space search, along with any that have flexed. This produces a crowded view of the environment around the ligand.
Let's exclude from the output any residues, that have not flexed, and are not bridged, that have no atoms within 5Å of any ligand atom.