Complementary Space for Enhanced Uncertainty and Dynamics Visualization

Fig. 1. Visualizations of the hemoglobin molecule undergoing dynamic deformation as oxygen binds to it. (a) A primal space visualization of the first time step with the heme group identified. (b) Visualization of the complementary space of the first time step shows the geometry of the interior. The surface has been made transparent, revealing a large tunnel through the surface (yellow) with many mouths (red). (c) Zooming in on the heme group reveals the structure of space around it while oxygen is bound. (d-f) The corresponding images of (a-c) for the final time step. Complementary space has changed dramatically both in the interior volume and near the heme group, though this is not evident from the primal space visualizations. Comparing (c) and (f), we observe that the connectivity of the mouth of the tunnel near the heme group has changed, illustrating the time-dependency of the topological features of complementary space. We quantify and discuss this example further in Section 3.5.