An Introduction to the Kinetic Evaluation Software KinGUI

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Presentation transcript:

An Introduction to the Kinetic Evaluation Software KinGUI Dr. Dieter Schäfer Monheim, Germany FOCUS Kinetics Training • Washington • January 2006

... is a kinetic evaluation software with a Graphical User Interface 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) FOCUS Kinetics Training • Washington • January 2006

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 FOCUS Kinetics Training • Washington • January 2006

… was developed by BCS and an ECPA Workgroup 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 FOCUS Kinetics Training • Washington • January 2006

Graphical User Interface 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 MatLab Compiler executable version of KinGUI requires pre-installed MatLab environment FOCUS Kinetics Training • Washington • January 2006

the pre-installed MatLab environment 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) FOCUS Kinetics Training • Washington • January 2006

short presentation of KinGUI: parent and one metabolite, SFO kinetics How to work with KinGUI short presentation of KinGUI: parent and one metabolite, SFO kinetics FOCUS Kinetics Training • Washington • January 2006