Might be able to take inspiration from the HideDust module to narrow the bounding box of a volume to exclude excess solvent space. This can help avoid issues d/t the molecule density not being centered inside the volume box for whatever reason. HideDust is able to identify which densities are likely to be solvent noise and eliminate them, so perhaps whatever is leftover can be used to calculate a tighter bounding box.
Might be able to take inspiration from the HideDust module to narrow the bounding box of a volume to exclude excess solvent space. This can help avoid issues d/t the molecule density not being centered inside the volume box for whatever reason. HideDust is able to identify which densities are likely to be solvent noise and eliminate them, so perhaps whatever is leftover can be used to calculate a tighter bounding box.