protein–ligand-distance-histogram

Structural bioinformatics project focused on analyzing protein–ligand contact distances from PDB structures.

Overview:

Extracts atomic coordinates for protein atoms (ATOM records) and a specific ligand (HETATM).

The coordinates are returned as NumPy arrays for further analysis.

Future Improvements

• Add distance calculation between protein and ligand
• Implement contact map generation
• Add error handling
• Support multiple ligands
• Add unit tests