DockIt uses Panda3D game engine (https://www.panda3d.org/) to display two proteins, a receptor and a ligand, and lets the user move one of the proteins to try to dock it on the other. I developed this prototype as a side project for my thesis.
- Download panda3d game engine and make sure 'panda3d' is in your PYTHONPATH.
- Execute: python main.py pdb_data/1PPE_r_u.pdb pdb_data/1PPE_l_u.pdb (pdb_data contains two example PDB structures)
- X-axis: a/d
- Y-axis: w/s
- Z-axis: q/e
- Heading: r/f
- Pitch: t/g
- Roll: h/y
- Cartoon mode: c
- Show control structures: x
- Center proteins: z
- Help: v
- Exit: escape
