The Virtual Cell Software now provides an integrated environment to introduce rule-based features among species and reactions in a VCell Biomodel. Additions to the Biomodel Physiology include Molecules and Observables, as well as reaction rules that can be specified alongside reactions in the Reactions Table. Defining Molecules allows the user to create species that have molecular details.
Mixing Rule-based features and reaction networksSimilar to the traditional BioModel, a rule-based BioModel consists of a model description (Physiology) and one or more Applications. Any operations on species and reactions that are supported in VCell can be used alongside rules. Specifically, species that are used as initial seed species for rule-based models can be used as species in reaction networks.
Rule-based ApplicationsEach BioModel Application allows the user to define the quantitative conditions needed to define, run and visualize a numerical simulation. A Rule-Based BioModel may have mutliple Applications, solved using deterministic, stochastic or network-free approaches. Each Application, in turn, can have multiple Simulations, in which different numerical methods or conditions are used.
Rule-Based MathModelMathModels for deterministic or stochastic applications generated by a rule-based model have a standard VCell structure with a full list of species and reactions, as well as observables defined by functions. MathModels for network-free application have a new syntax.