Visualization of solution sets from automated docking of molecular structures
Jos Jansen van Vuuren, Michelle Mary Kuttel, James Edward Gain · 2010
Aligning structures, often referred to as docking or registration, is frequently required in fields such as computer science, robotics and structural biology. The task of aligning the structures is usually automated, but due to noise and imprecision, the user often needs to evaluate the results before a final decision can be made. The solutions involved are of a multidimensional nature and normally densely populated. Therefore, some form of visualization is necessary, especially if users want to achieve higher level understanding, such as solution symmetry or clustering, from the data.