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Virus capsids self-assemble spontaneously into capsids or less symmetric aggregates, often from a single subunit. This software simulates the assembly of virus capsomeres into capsids and other large aggregates. Premade input files of subunits are coarse-grained based on atomic-resolution data. You can also make your own subunit file.
Temperature, elasticity, protein concentration, salt concentration and LJ-attraction (akin to protein hydrophobicity) are adjustable parameters. An equilibrium mass spectrum, system energies, and simulation snapshots are produced as outputs. You can look here for a full list of inputs and outputs.
There are two simple systems that have been studied so far; MVM and Rhombic Dodecahedron. Input files and solution conditions that yield assembly conditions are described on their documentation pages. Other systems such as dimeric T=1 and HBV T=3 are still under investigation.
You can try out the MVM system using our app!
