The Complete Stoichiometer

The Complete Stoichiometer, a computer program used in solving stoichiometric problems in chemical, biochemical or metabolic systems, is described. The program contains general facilities for handling the stoichiometric and real matrices used in chemical network problems. The program contains a number of utility and application subprograms. The utility programs provide for input of matrices in both standard form and symbolic equation form, editing and combination of matrices; storing and retrieving stoichiometric matrices from the disk; printing of reports; a BlackBoard subprogram which allows stoichiometric matrices to be manipulated on the screen with a command-driven language. The application programs are: standard processing of network stoichiometry to obtain reaction trees and reaction loops, the independent driving potentials, and the conserved moieties; the standard processing of an atomic composition matrix to obtain the set of independent reactions interconnecting the reactants, and a possible moiety structure; factoring of an atomic composition matrix to obtain the structure of reactants in terms of moieties and of moieties in terms of atoms; generation of reduced equivalent networks when some reactions are in rapid equilibrium and some reactants are in steady-state; a robust mass action chemical equilibrium solver.