DynaFit Scripting Manual

  Index

Introduction

All input data for program DynaFit [1] are simple text files in the ASCII format. The input can be classified into three categories:

1. Data files contain experimental data arranged in columns (independent variable vs. dependent variable).

2. Script files contain the description of the reaction mechanism, initial estimates of fitting parameters, and the location of experimental data files on the disk.

3. Initialization files contains the control settings for numerical algorithms, such as the desired confidence level for estimated parameters.

This manual contains the formal description of DynaFit script files such as the example script listed below.

; Fit progress curve to Michaelis-Menten mechanism
; 
[task]
   data = progress
   task = fit
[mechanism]    
   E + S <==> ES     :     k   ks
   ES --> E + P      :     kr
[constants]
   k = 1 ?, ks = 10 ?, kr = 1 ?
[concentrations]
   E  = 0.05 
   S  = 31
[responses]
   P = 3.226 ?                             
[progress]
   file        ./data/steroid/i0.txt
[settings]
   <Filter>    | Scale = minutes
[end]

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Petr Kuzmic | Jul 12 2005