groel-normal-mode-analysis

Research project regarding NMA performed on chaperone proteins GroEL and GroES, typically found in E. Coli.

Dependencies

Required Python Packages

• ProDy (v2.6.1+) - Protein dynamics analysis toolkit
• NumPy (v1.10+) - Numerical computing
• SciPy - Scientific computing
• Matplotlib - Plotting and visualization
• Biopython - Bioinformatics tools

Installation

Prerequisites (Windows)

• Python 3.8+
• Microsoft Visual C++ Build Tools (required for ProDy compilation)

Install Dependencies

pip install prody numpy scipy matplotlib biopython

Alternative Installation (using conda)

conda install -c conda-forge prody numpy scipy matplotlib biopython

System Requirements

• Windows: Microsoft Visual C++ 14.0 or greater (Visual Studio Build Tools)

anm, open to close would be better for analysis