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Statgraphics is a comprehensive statistical software suite designed for both basic and advanced data analysis. Originating in 1980 at Princeton University under Dr. Neil W. Polhemus, it was one of the pioneering tools for statistical computing on personal computers, with its public release in 1982 marking an early milestone in data science software. Over the years, it has evolved into a robust platform for data science, offering tools for regression analysis, ANOVA, multivariate statistics,...
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Trajectory Data Analyses for Pedestrian Space-time Activity Study
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ST-Analyzer: A Packaged Web and Command-Line Interface for Simulation Trajectory Analysis.

Nathan R Kern1, Soohyung Park2, Yiwei Cao2

  • 1Department of Computer Science and Engineering, Lehigh University, Bethlehem, PA 18015, USA.

Biorxiv : the Preprint Server for Biology
|February 23, 2026
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Summary
This summary is machine-generated.

ST-Analyzer simplifies complex simulation trajectory analysis for researchers. This open-source tool offers both graphical (GUI) and command-line (CLI) interfaces, making scientific insights reproducible and accessible.

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Area of Science:

  • Computational chemistry and molecular dynamics simulations.
  • Bioinformatics and computational biology.

Background:

  • High-performance computing generates large simulation datasets, posing challenges for reproducible analysis.
  • Diverse and rapidly evolving software ecosystems complicate data analysis and hinder reproducibility.
  • Extracting scientific insights requires expertise in computational methods beyond the molecular system itself.

Purpose of the Study:

  • To present ST-Analyzer, an open-source software suite for simulation trajectory analysis.
  • To provide both command-line (CLI) and graphical (GUI) user interfaces for accessibility.
  • To facilitate reproducible scientific insights from molecular dynamics simulations.

Main Methods:

  • Developed ST-Analyzer as a free, open-source conda-forge package.
  • Implemented both CLI and GUI for user interaction.
  • Ensured cross-platform compatibility (macOS, Linux, Windows via WSL2).
  • GUI provides users with the exact CLI commands for tasks.

Main Results:

  • ST-Analyzer successfully reproduces results from published studies on biomembranes and viral protein-antibody interactions.
  • Demonstrated the tool's utility for common analysis tasks.
  • Validated the GUI's ability to guide users towards CLI command execution.

Conclusions:

  • ST-Analyzer enhances the accessibility and reproducibility of simulation trajectory analysis.
  • The tool serves both expert users needing efficient task setup and non-experts seeking guided learning.
  • Open-source availability and cross-platform support promote wider adoption in computational research.