DynaFit Scripting Manual

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`Sweeping' rate constant values

A special section of the script file was designed for the purpose of simulating a whole set of progress curves at different values of one or more rate constants. Such exploratory simulations often reveal the properties of the biochemical system which certainly are not apparent to the uninitiated observer (see the script file oscill.txt in the directory script/simulate).

Example

[mechanism]
  S1 + E <===> S1.E     :    k      ks1
    S1.E  ---> E + S2   :    kr1
  S2 + E <===> S2.E     :    k      ks2
          ---> S1       :    v1
       S2 --->          :    v2
[constants]
    k = 10
    ks1 = 10, kr1 = 10
    ks2 = 0.05
    v1 = 1, v2 = 1
[sweep]
    ks2 = 0.01, 0.03, 0.09, 0.27, 0.81, 2.43

Here the program is ordered to simulate six different progress curves in one run and display them in a single graph. Each progress curve corresponds to one of the values of the rate constant $k_{\scriptscriptstyle \rm s2}$ liste in the [sweep] section of the script file.

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Petr Kuzmic | Jul 12 2005