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.

  • 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 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.

    • 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:

      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:

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:

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.

  • 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:

      sudo usermod -aG docker $USER

      • Log out and log back in for the changes to take effect.

  • Python Version:

    • Verify your Python version:

      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:

      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 on the GitHub repository.

Next Steps:

Happy Folding! 🧬