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QCMP112. COSY: A System of Programs for the Analysis of
Kinetic and Equilibrium Data
by Marc Eberhard, Department of Biophysical Chemistry,
University of Basel, CH-4056 Basel, Switzerland
This package is a group of programs with the following
names and functionalities:
SYNDAT: This is a program to generate data according
to a model function with fixed parameters.
Experimental error is simulated by an algorithm
which scatters the calculated data according to
a standard deviation. The synthetic data
generated in this way may be analyzed with
either SYNDAT or COSY.
COSY:This is also a program for the analysis of
kinetic and equilibrium data. Data may be given
manually via keyboard. COSY provides an editor
which permits one to handle data conveniently.
Data may also be acquired from text files. COSY
permits one to process data in many ways (linear
transformation, scaling, integration,
differentiation, etc.) and provides a universal
non-linear least-squares-fit procedure to fit
data to various model functions. In addition
some special algorithms are provided (direct
linear plot, initial velocity estimation). COSY
allows one to represent data graphically on the
screen, a plotter or a matrix printer.
MODFUN: This program evaluates the results and the
derivatives with respect to fit parameters of
each of the defined model functions.
SIMKIN: SIMKIN offers the possibility of simulating
kinetic mechanisms.A kinetic mechanism
consists of components (up to 16) which interact
with each other or convert to another component
in a defined way. The interactions are defined
by rate constants (up to 16 in SIMKIN) and by
differential equationsof theform
d[C]/dt=k[C]+..... where d[C]/dt is the change
of the concentration [C] in time and k is some
rate constant. For each component there must be
a differential equation which relates the change
of concentration with time to the concentration
of the components and the rate constants.
SIMKIN integrates the differential equations
numerically and thereby calculates transients,
i.e., [C] as a function of time.
Lines of Code: 19,742
Borland Turbo Pascal / VGA Graphics
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