BioTech Data Visualizer

Introduction

Within the complex field of molecular simulations, the interpretation of large sets of data can be daunting, even for experts in the field. When my brother, a PhD student working with molecular simulations on supercomputers, expressed a need for a tool to visualize his logs for a molecule called Epoxide Hydrolase, I took it as a weekend challenge. The result was Angle-Dist-Viewer, a web-based utility that offers  2D and 3D chart visualizations of supercomputer log files (with extension .pdb) .

Launch Project Source Code

Technologies Used

  • Web Framework: Material Design Lite (MDL)
  • Charting Library: Highcharts

Project Goals

  1. Develop a user-friendly visualizer for molecular simulation logs.
  2. Enable real-time 2D and 3D chart visualizations.
  3. Complete the project within a 10-hour timeframe.

Challenges Faced

  • Time Constraint: The project had to be completed in less than 12 working hours.
  • Complex Data: Handling and interpreting complex bioinformatics data from supercomputer logs.

Solutions and Approaches

  • Highcharts Integration: Utilized the Highcharts library for efficient and visually appealing data plotting.
  • Rapid Development: Leveraged Material Design Lite for quick UI development.

Key Features

  • File Upload Functionality: Users can upload log files for immediate processing.
  • Real-time Visualization: The utility generates 2D and 3D charts on-the-fly.
  • Parameter Adjustments: Allows users to set various parameters for more focused results.

Outcomes and Impact

  • Rapid Development: Completed the fully functional tool in just 10 development hours.
  • Immediate Utility: The tool was quickly used to visualize the research group data, significantly aiding in their data analysis and interpretation.

Lessons Learned

  • Efficiency Matters: The need for rapid development taught me to prioritize and make efficient use of available resources and libraries.
  • Interdisciplinary Application: This project was a lesson in how software engineering skills can be applied to solve real-world challenges in other disciplines like bioinformatics.

Additional Resources

Release Date

2017