yufree/thermoflask repository overview

⁠ThermoFlask

ThermoFlask is a Flask-based web application for processing Thermo .raw files using the ThermoRawFileParser⁠. It provides a user-friendly interface for uploading .raw files, selecting output formats, and downloading the processed results.

⁠Features

• Upload multiple Thermo .raw files for batch processing.
• Supports various output formats, including mzML, indexed mzML, Parquet, MGF, and metadata-only.
• Allows additional custom parameters for the ThermoRawFileParser.
• Displays command output for debugging.
• Provides a download interface for processed files.

⁠Project Structure

thermoflask/ 
├── Dockerfile # Dockerfile for building and running the application 
├── README.md # Project documentation 
├── flask_app_files/ 
│ └── app.py # Flask application source code

⁠Requirements

• Docker (to build and run the application)
• Internet connection (to clone and build ThermoRawFileParser)

⁠Getting Started

⁠1. Build the Docker Image

Run the following command to build the Docker image:

docker build -t thermoflask .

⁠2. Run the Application

Start the application using the following command:

docker run -p 5000:5000 thermoflask

• The application will be accessible at http://localhost:5000⁠.

⁠3. Access the Application

1. Open http://localhost:5000⁠ in your browser.
2. Upload .raw files, select the desired output format, and optionally provide additional parameters.
3. Start the parsing process and download the results once processing is complete.

⁠License

This project uses the ThermoRawFileParser, which is licensed under the Apache License 2.0. Ensure compliance with its license when using this project.

⁠Acknowledgments

• ThermoRawFileParser⁠ for the raw file parsing functionality.
• Flask⁠ for the web framework.