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CSAC v1.0.0

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@benijelen benijelen released this 18 Mar 19:30
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v1.0.0
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CSAC (Coordination Sphere Analysis and Comparison) v1.0.0

CSAC v1.0.0 - First Release

Release Description:

CSAC (Coordination Sphere Analysis and Comparison) v1.0.0 is the first official release of this Python-based tool for analyzing and comparing metal coordination environments in proteins.

Key Features:
Metal Coordination Analysis: Extract and analyze metal-binding sites from protein structures.
Custom Metal Searches: Search for specific metals (e.g., Fe, Mn, Ni) in protein structures.
Automated Data Processing: Generate structured output files, including DATABASE.csv and FREQ_VECTOR.csv.
Visualization Tools: Includes scripts for ligand distribution analysis, hydropathy plots, PCA, and violin plots.
User-Friendly Workflow: Simple CSV input format with clear output for further analysis.

How to Use:
Place CSAC.py and input files in a project folder.
Run python CSAC.py and follow the prompts.
Process outputs with visualization scripts.

Requirements:
Python 3.9+
Required dependencies: pandas, numpy, requests, biopython, scikit-learn, matplotlib, seaborn, scipy.

See the full README for installation, usage, and example datasets.

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