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An Introduction to the Kinetic Evaluation Software KinGUI

An Introduction to the Kinetic Evaluation Software KinGUI . Dr. Dieter Schäfer Monheim, Germany. What is KinGUI ?. KinGUI ... ... is a kin etic evaluation software with a G raphical U ser I nterface

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An Introduction to the Kinetic Evaluation Software KinGUI

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  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)

  3. 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

  5. MatLab Compiler 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

  6. 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)

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

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