Automating Three-Dimensional Reconstruction of Icosahedral Virus Structure with 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.