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35aaa09 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 | #!/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
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