CG3DR: Coordination of icosahedral virus reconstruction using Condensed Graphs

We present a visual executable workflow for the three-dimensional reconstruction of icosahedral virus structure using the Traditional Model (TM) method. This workflow is implemented using WebCom, a metacomputer platform based on the Condensed Graph (CG) model. The CG model allows the application to be constructed with a structure that closely mirrors an abstract description of the workflow. By utilising WebCom’s Integrated Development Environment, we also create a workbench environment that facilitates construction of related workflows through the reuse of components developed for the TM workflow. As an example of this component reuse, we outline the construction of a workflow for the alternative Unbiased Model reconstruction method. In addition, we demonstrate that using a separate machine for the coordination of such workflows results in improved execution times.

Research highlights
► A workflow for 3D virus reconstruction based on the Condensed Graph model of computation increases parallelism.
► Enhanced features and usability benefit domain scientists.
► An Integrated Development Environment and reusable components provide a workbench for related workflows.