Location of data files

Equilibrium data files contain, in the first column, the concentration of a certain reactant and, in the second column, the magnitude of a certain physical quantity (e.g., fluorescence) proportional to the concentration of one or more reactants. The formal rules for using the keywords directory, file or files, and extension, are the same as was described in section 8.3.

Example 1

The directory ./TEST/DATA contains four files named F1.TXT, F2.TXT, F3.TXT and F4.TXT, each of which contains in the first column the concentration of the ligand and in the second column the fluorescence intensity associated with the protein. It is assumed that the free protein is more fluorescent at the given wavelength than the protein-ligand complex.

[task]
    data  = equilibria
    task  = fit
[mechanism]
    protein + ligand <==> complex  :  Keq  dissoc
[constants]
    Keq = 0.01 ?
[responses]
    protein = 100 ? , complex = 10 ?
[equilibria] 
   directory ./test/data
   extension txt
   variable ligand
   file f1 | concentration protein = 1
   file f2 | concentration protein = 2
   file f3 | concentration protein = 4
   file f4 | concentration protein = 8
[end]

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Petr Kuzmic | Jul 12 2005