Developed by Dr. Sean's Team of Drug Design and Discovery

How to Use This Tool

• Upload a trajectory file (.trr or .nc) containing molecular dynamics frames.
• Select a protein structure file (in .pdb format).
• Choose one of the built-in probe molecules, or define your own using custom atom syntax.
• Adjust grid spacing, cutoff, and normalization parameters as needed.
• Click “Run GridMap Builder” to start the analysis and download the output grid map file.

This tool will automatically generate a pdb file of probe molecule arrangement for pymol plotting and subsequent density analysis.