Automating Three-Dimensional Reconstruction of Icosahedral Virus Structure with Condensed Graphs

Abstract

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.