- A brief introduction to HADDOCK3
- Installation
- 1. Clone this repository:
- 2 Create a virtual environment with Python 3.9+ and install dependencies:
- 3. Install the HADDOCK3 package and command line clients
- 4. Make a CNS binary shortcut to the expected path:
- 5. Keep your installation up to date
- 6. (Optional) Install MPI libraries if you intend to run HADDOCK3 with MPI
- Installing third-party packages
- Usage
- Workflow Examples
- Advanced features
- Command-line interfaces
- Modules
- Testing
- Contributing to HADDOCK3
- Citing
- Library Reference