An Introduction to the Kinetic Evaluation Software KinGUI

1
An Introduction to the Kinetic Evaluation
Software KinGUI

• Dr. Dieter Schäfer
• Monheim, Germany

2
What is KinGUI ?

• KinGUI ...
• ... is a kinetic evaluation software with a
  Graphical User Interface
• can handle almost all
  relevant metabolic
  schemes
• complies with the rules
  and reporting
  requirements
  of FOCUS Kinetics (except
  
  water/sediment systems)

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What is KinGUI ?

• KinGUI ...
• is based on the commercial software package
  MatLab
• uses standard mathematical methods and
  approaches
• minimisation of the sum of squared differences
• Runge-Kutta method for numerical solution of the
  differential equations
• Levenberg-Marquardt algorithm for the parameter
  optimisation

4
What is KinGUI ?

• KinGUI ...
• was developed by BCS and an ECPA Workgroup
• will be freely available in its executable
  version
• is by no means perfect (yet), and will undergo
  further testing and validation
• is only one of several software tools for
  kinetic evaluations according to FOCUS, and is
  used here only as an example

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Structure of KinGUI
requires full MatLab software package
MatLab version of KinGUI
MatLab tool set of text files (m-files) that can
be interpreted by MatLab
Graphical User Interface set of MatLab text
files
executable version of KinGUI
requires pre-installed MatLab environment
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How to work with KinGUI

• What you need to start
• the pre-installed MatLab environment
• the executables (kingui.exe, kingui.ctf)
• an appropriate input file
• a conceptual model of the metabolic scheme
• for a detailed introduction to KinGUI refer to
  the User Manual and the Step-by-Step Guide
  (available as print-outs and on CD)

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How to work with KinGUI
short presentation of KinGUI parent and one
metabolite, SFO kinetics