Figure 3.

VMD remote control. PyContact users can load an MD trajectory into VMD through the graphical interface. Through the interactive connection between PyContact and VMD, users can click (orange mouse pointer on timeline) on a contact’s timeline to visualize the respective contact in the molecular graphics session with VMD. Swiping through the timeline (dashed arrow) makes VMD advance to the respective trajectory frame. Thus, the connection supplies users with simultaneous statistical and visual analysis in a time-dependent manner. In the displayed VMD window, a trajectory of human Filamin B domains 16 (blue) and 17 (red) is shown. As shown in (16), F1747 (blue) and V1832 (red) establish a highly correlated contact at the protein-protein interface. To see this figure in color, go online.