DynaFit Scripting Manual
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Sections

Each script file is divided into several sections described separately of this manual. Table 2.2 contains a brief list of section names.


Table 2.2: Script file section names.
Section
[abstract] Summary of a comment section in the script file.
[concentrations] Initial or total concentrations for all datasets in the script.
[constants] Values of rate and equilibrium constants.
[end] End of the input script.
[equilibria] Equilibrium binding data.
[keywords] Keywords in a comments section of the script file.
[mechanism] Reaction mechanism.
[output] Directory for output files.
[progress] Reaction progress curves.
[responses] Molar response coefficients of reaction species.
[settings] Fine-tuning the computational parameters.
[subtitle] Subtitle of a comment section.
[sweep] Simulate several progress curves by `sweeping' the values of rate constants.
[task] Mode of operation (simulation, comparison, or fit).
[title] Title of a comment secrion.
[velocities] Initial velocity data.


Only the first four characters of each section name are used by the program, so [mechanism] can be abbreviated as [mech, [concentrations] can be abbreviated as [conc, etc. Each section name must begin on a separate line. There can be no spaces separating the [ character and the section name, but any number of leading blank spaces or tabs are allowed.


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Petr Kuzmic | Jul 12 2005