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Biophysical Motivation
Installation
Quick Start Jupyter Notebook
Quick Start command line
Examples
Publications
Non-experts in Python are recommended to use the Jupyter Notebook.
Download and install anaconda distribution
Open anaconda promt and type
pip install molclustpy
Create a working directory - /user/Desktop/molclustpy
Download the Tutorial_Nephrin_Nck_NWASP.bngl file and place it inside your working directory
Download the notebook Tutorial_Nephrin_Nck_NWASP.ipynb and place it inside your working directory
Navigate to the working directory and launch jupyter notebook by typing
jupyter notebook &
Open the notebook with “File -> Open -> Tutorial_Nephrin_Nck_NWASP.ipynb”
This notebook Tutorial_Nephrin_Nck_NWASP.ipynb provides step by step instructions on how to utilize different parts of the package.
After clicking on the Run button (the top of the browser window) the content of the cell will be executed, and you can click on the next cell and again click on Run to perform the next actions. You can also do “Cell -> Run All” to execute all the blocks at one go.
Change the simulation parameters and visualize the results