coder-drinker / IntrinsicProteinSim

Visualization, simulation, manipulation of Intrinsic proteins

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IntrinsicProteinSim

Protein Simulation and Visualization

This GitHub repository hosts a powerful simulation tool for intrinsic proteins, utilizing Monte Carlo methods to analyze and visualize protein characteristics such as charges, hydrophobicity, and disorderness. The software processes Protein Data Bank (PDB) files to output manipulated PDB files, detailed visualizations, and insightful graphs depicting key protein properties.

Updates

Getting Started

Instructions:

python test2.py -pdb Downloads/tau.pdb -t 140 -i 20 -w1 1 -w2 0.1 -ph 7
PDB

Prerequisites/requirements

Ensure the following software and libraries are installed on your system:

  • Python 3.8 or higher
  • pip installed
  • Installation Instructions:
pip install numpy matplotlib biopython pandas seaborn

-Download PDB protein files @ https://www.rcsb.org/

About

Visualization, simulation, manipulation of Intrinsic proteins

License:MIT License


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Language:Python 85.0%Language:Jupyter Notebook 15.0%