NMR Lineshape Analysis for
Determination of Association Kinetics
Version 3.1, 3.2
Release 3/30/08, 06/06/09
Contents of the package and getting started
- LineShapeKin has been developed to work with Sparky version 3.113. Likely it will work with other versions.
- Matlab has to be above version 6 and include Optimization and Statistics Toolboxes.
- See full LineShapeKin User
- LineShapeKin/code and DPM_code/ - the M-code of the package.
- LineShapeKin/Docs - documentation and user manual.
- LineShapeKin/Docs/Setup_Examples/ - examples of fitting, statistical testing and Direct Parameter Mapping sessions.
- User_Data/ - the user directory. This directory may be anywhere.
- User_Data/Matlab_fitting - the working directory for line shape fitting. Copy necessary M-files from corresponding folder in
- User_Data/Sparky/ - user
directory where Sparky project resides. This is the place where the
extracted line shapes are saved to. It is supplied with the example project
D121A_pTppAp_lineshape_analysis.proj. This directory is for illustration purposes only and may be located anywhere.
- User_Data/processing_with_EM/ - contains example nmrPipe script nmrproc1.P1.com
for example of exponential multiplication (EM) window function usage. This directory is for illustration purposes only.
- To use LineShapeKin for new data analysis:
- Create new directory and copy M-files from LineShapeKin/Docs/Examples/
- Start MATLAB and set current directory to this location.
- Set path to LineShapeKin/code and LineShapeKin/DPM_code.
- You are ready to go. See instructions in the LineShapeKin User