Facilitates the visualization of conformations through two clustering methods. The first method is K-RMSD, which is based on the clustering through (RMSD) and enables the interactive visualization of groups through a treemap, and the other one is based on the hierarchical clustering called AGNES. Using an algorithm of average distances generates a dendogram that offers the possibility to explore sequentially the groups that illustrate best the docking. The fact that both visualizations are connected to PyMOL increases its ability of discernment.
Varela-Salinas, Génesis; García-Pérez, C. A.; Peláez, R. & Rodríguez, A. J. Visual Clustering Approach for Docking Results from Vina and AutoDock, Hybrid Artificial Intelligent Systems: 12th International Conference, HAIS 2017, La Rioja, Spain, June 21-23, 2017, Proceedings, Springer International Publishing, 2017, 342-353