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© Oxford University Press

MIST: a user-friendly metabolic simulator

Magnus Ehlde and Guido Zacchi 1

Department of Chemical Engineering 1, University of Lund PO Box 124, S-221 00 Lund, Sweden

1To whom correspondence should be addressed

The Metabolic Interactive Simulation Tool, MIST, is a software package, running under Microsoft Windows 3.1, which can be used for dynwnic simulations, stoichiometric calculations and control analysis of metabolic pathways. The pathways can be of any complexity and are defined by the user in a simple, interactive way. The user-defined enzymatic rate equations can be compiled either by an external or an internal compiler. Simulations of pathways compiled by an external compiler run significantly faster, but since these compilers are commercial software, they are not distributed together with MIST. The simulations are performed by numerical integration of a set of ordinary differential equations. The integration can be done by either an explicit fourth-order Runge-Kutta algorithm or a semi-implicit third-order Runge-Kutta algorithm, both with adjustable step size. The second algorithm can be used if the set of differential equations is stiff Vector-based drawing facilities are included in the program, with which results can be presented in graphs. Results of simulations, including graphics, can be stored in files. MIST is a very user-friendly, flexible and yet powerful program, with the mathematical details regarding models, simulations and calculations hidden from the user. This makes it suitable for scientists and students with limited computer experience.

Received on September 21, 1994; revised on February 4, 1994; accepted on February 6, 1994

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