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LineShapeKin Simulation

Getting started

 

 

 


 

Using the online version (web-interface)

We created a web-interface for LineShapeKin Simulation located at Kovrigin Lab server (Marquette University). This is "the first approximation" to a fully functional interface that is---imperfect so your best option is still installing the code locally as described in the next sections.

Try Online LineShapeKin Simulation

 

 

 


Installation of the common files and setting the environment

This step is required whether you intend to use M-code or binaries.

Download and unpack the LineShapeKin_Simulation_4.1.5.zip in the convenient location.

File index.htm is the main LineShapeKin Manual. However, you should use online manuals if possible because they are likely most up-to-date.

The LineShapeKin calls the Python programs to prepare input and output for the simulations from the folder LineShapeKin_Simulation_4.1/Python/. Add a path to this folder in your ~/.cshrc (OS X, Linux):

set path = ($path path-to-this-Python-folder-on-your-computer )

 

 

 


 

 

Using the M-code

  1. Set paths:
    In MATLAB set File:Set Path to the folder Matlab_code/ with an option "Unclude subfolders" or set additional path to Matlab_code/Models/.

2.  Test operation of the program:
     On a MATLAB command line type Simulate. You should see the following output:

>> Simulate

LineShapeKin Simulation ver. 4.1.1 6/12/09.
Evgenii Kovrigin, Medical College of Wisconsin

Usage: Simulate general_setup_name model_setup_name

 

3. Set up a simulation run:
Create a folder for you simulation anywhere. Change your MATLAB working directory to this location. Proceed with setting up your model as described in the Tutorial section Basic features of the package and an example of the simple binding process, no coupled equilibria. U model.

 

 

 

 

 


Using the binaries