# Installation Guide This section provides detailed instructions on how to install and set up AFusion and its prerequisites. ## Option 1: Install Using the Terminal Before installing AFusion, ensure that you have the following components installed on your system: ### 1. 🐳 Docker Installed - **Docker** is required to run AlphaFold 3. - **Installation**: Download and install Docker from the [official website](https://www.docker.com/get-started/). - **Post-Installation**: - Ensure Docker is running properly. - Verify that your user has permission to execute Docker commands. ### 2. 🧬 AlphaFold 3 Installed - AFusion requires **AlphaFold 3** to be installed and set up on your system. - **Installation Instructions**: - Follow the instructions provided in the [AlphaFold 3 GitHub Repository](https://github.com/google-deepmind/alphafold3) to install AlphaFold 3. - Make sure to download the model parameters and required databases. ### 3. 🐍 Python 3.10 or Higher - AFusion is built with Python and requires **Python 3.10** or higher. - **Installation**: - Download Python from the [official website](https://www.python.org/downloads/). - Alternatively, use a package manager like `apt`, `brew`, or `conda`. ## Option 2: Use the Guided GUI Installation Alternatively, you can use the guided GUI installation process provided by AFusion, which simplifies the installation steps through an interactive interface. - **Start the Installation GUI**: - Run the following command in your terminal: ```bash afusion install ``` - This command will launch the AFusion installation GUI, guiding you step-by-step through the process of installing Docker, AlphaFold 3, and Python if they are not already installed. By choosing Option 2, you can streamline the installation process with a user-friendly graphical interface that handles the setup for you. ## Installation and Running Follow these steps to install and launch AFusion: ### 1. Install AFusion Run the following command in your terminal to install AFusion: ```bash pip install afusion ``` - **Note**: This command will install AFusion and all its dependencies, including Streamlit. ### 2. Run AFusion GUI After installation, you can start AFusion by running: ```bash afusion run ``` - This command will launch the AFusion graphical user interface (GUI) in your default web browser. --- **Important Notes:** - **AlphaFold 3 Installation**: Ensure you have correctly installed AlphaFold 3, including model parameters and required databases, following the [AlphaFold 3 Installation Guide](https://github.com/google-deepmind/alphafold3/blob/main/docs/installation.md). - **Docker Configuration**: After installing Docker, make sure it is running properly and that your user has permission to execute Docker commands. - **Streamlit Dependency**: AFusion's installation will automatically install all required dependencies, including Streamlit. There's no need to install it separately. --- ## Troubleshooting If you encounter any issues during installation or usage, consider the following steps: - **Docker Issues**: - Ensure Docker is running. - On Linux, you might need to add your user to the `docker` group: ```bash sudo usermod -aG docker $USER ``` - Log out and log back in for the changes to take effect. - **Python Version**: - Verify your Python version: ```bash python --version ``` - If it's below 3.10, install the correct version. - **AlphaFold 3 Setup**: - Double-check that all paths and environment variables required by AlphaFold 3 are correctly set. - **Dependencies**: - If you have conflicting packages, consider using a virtual environment: ```bash python -m venv afusion_env source afusion_env/bin/activate ``` - Then install AFusion within this environment. --- For further assistance, please refer to the official documentation or [open an issue](https://github.com/your-repo/issues) on the GitHub repository. --- **Next Steps**: - Proceed to the [Usage Guide](index.md#usage) to learn how to use AFusion. - Explore the [API Documentation](api.md) for information on batch predictions (coming soon). --- **Happy Folding! 🧬**