#!/bin/bash # Docking@HOME Quick Start Script for Linux/Mac # Authors: OpenPeer AI, Riemann Computing Inc., Bleunomics, Andrew Magdy Kamal echo "" echo "========================================================================" echo " Docking@HOME v1.0" echo " Molecular Docking Platform" echo "========================================================================" echo "" # Check if Python is installed if ! command -v python3 &> /dev/null; then echo "[ERROR] Python 3 is not installed" echo "Please install Python 3.8+ from: https://www.python.org/downloads/" exit 1 fi echo "[OK] Python found: $(python3 --version)" echo "" # Check if virtual environment exists if [ ! -d "venv" ]; then echo "Creating virtual environment..." python3 -m venv venv echo "[OK] Virtual environment created" echo "" fi # Activate virtual environment source venv/bin/activate # Check if requirements are installed python -c "import fastapi" &> /dev/null if [ $? -ne 0 ]; then echo "Installing dependencies..." echo "This may take a few minutes..." echo "" pip install -r requirements.txt echo "" echo "[OK] Dependencies installed" echo "" fi echo "[OK] All dependencies ready" echo "" # Start the server echo "Starting Docking@HOME Server..." echo "" echo "The GUI will open in your browser automatically" echo "Press Ctrl+C to stop the server" echo "" echo "========================================================================" echo "" python start.py --host localhost --port 8080