This manual covers the usage, features, and technical details of Hex 8.0.0, a molecular graphics program for protein and DNA docking calculations.
Hex is an interactive molecular graphics program designed for calculating and displaying feasible docking modes of pairs of protein and DNA molecules. It utilizes spherical polar Fourier (SPF) correlations to accelerate calculations and can also perform protein-ligand docking and 3D superposition based on shape knowledge.
The software allows users to visualize results directly without exporting coordinate files, using a two-term surface skin plus van der Waals steric density model for proteins. It supports various display styles including solid models, cartoons, surfaces, and stereo displays, with calculations that can be accelerated by modern graphics processor units (GPUs).
| Supported Molecule Types | protein and DNA molecules |
|---|---|
| Docking Capabilities | protein-ligand docking (rigid ligand) |
| Superposition Method | 3D shapes only |
Hex is an interactive molecular graphics program for calculating and displaying feasible docking modes of pairs of protein and DNA molecules.
It uses spherical polar Fourier (SPF) correlations and can utilize modern graphics processor units (GPUs).
Yes, it can calculate protein-ligand docking assuming the ligand is rigid.