TrajPy GUI is a graphical interface for analyzing particle trajectories using the TrajPy library. It allows you to upload trajectory files, visualize them, compute various physical features, and export results. Getting Started
- Upload Trajectory Files
- Click "Upload one or several files (CSV or YAML)"
- Select one or multiple files:
- CSV files: Should contain trajectory coordinates (skip first line as header)
- YAML files: LAMMPS dump format supported
- Multiple files can be uploaded sequentially (they accumulate)
- Status shows total files and trajectories loaded
- Visualize Trajectories
- Click "Plot Trajectories" to display all loaded trajectories
- The plot shows:
- Trajectory paths in different colors
- Start points (circles)
- End points (squares)
- Legend identifying each trajectory
- Select Features to Compute
- Choose from the following analysis features:
- Anomalous Exponent: Characterizes diffusion type (α)
- MSD Ratio: Mean Square Displacement ratio
- Fractal dimension: Self-similarity measure
- Anisotropy & Kurtosis: Shape and directional properties
- Straightness: Path linearity
- Efficiency: Direct vs. actual path ratio
- Gaussianity: Displacement distribution normality
- Diffusivity: Diffusion coefficient
- Confinement Prob.: Probability of confined motion
- Compute Results
- Select desired features using checkboxes
- Click "Compute!"
- Results for the first trajectory appear in the status area
- Warnings/errors are displayed if computation fails for any trajectory
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Save Results Click "Save results (CSV)" after computation A CSV file (trajpy_results.csv) downloads automatically Contains computed features for all trajectories
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About Click "About" for version information and contact details
- Upload files incrementally to analyze multiple datasets together
- NaN/Error values indicate computation issues for specific features
- Plot trajectories before computing to verify data loaded correctly