General Overview

UVSS lets you manage your virtual screening pipelines through an advanced batch scheduler. Users logged on your cluster's console use UVSS to launch pipelines. UVSS spawns tasks through the job scheduler. The scheduler distributes individual UVSS docking tasks on the different nodes. Those tasks control docking groups and merge results. At the end of the pipeline, results are consolidated, scores are sorted and an email alert is sent to the appropriate user. For instance, this whole process in the particular case of docking with FlexX is presented in the following pipeline : Here is the associated UML sequence diagram :