Figure 3
From: MoFlow: visualizing conformational changes in molecules as molecular flow improves understanding
MoFlow visualization reveals complex motions hidden by traditional molecular imagery. Lid domain portion of a putative metal-dependent transcriptional regulator from S. mutans. (a) Cartoon-rendered (PyMOL) composite overlay view of the full protein at each time point in the simulation: red (beginning of trajectory) to purple (end of trajectory). (b) MoFlow rendering of six alpha carbons from the middle of the protein structure. These visualizations illustrate the contrast between the seemingly simple swinging motion in the composite image and the clearly more complex motion revealed by the pathline rendering.