Exporting Data
Clavis supports exporting both visual snapshots and analysis data in multiple formats.
Image Export (PNG)
Press Ctrl/Cmd + E or click the export button to save a PNG screenshot of the current 3D view.
- Captures the scene at viewport resolution
- Includes all visible elements (atoms, cages, H-bonds, axes)
- Path-traced renders are exported at the configured resolution multiplier
Data Export
After running an analysis, you can export the results as CSV or JSON.
CSV Export
CSV files include one row per detected cage with the following columns:
| Column | Description |
|---|
| cage_index | Sequential cage number |
| cage_type | Face signature (e.g., 5^12·6^2) |
| quality | SEC, nSEC, or IC |
| center_x/y/z | Cage center coordinates (nm) |
| n_vertices | Number of water molecules forming the cage |
| vertices | List of vertex (oxygen) indices |
JSON Export
JSON export provides the same data in structured format, suitable for programmatic analysis. Each cage is represented as an object with all properties from the CSV columns plus full vertex coordinate arrays.
How to Export
- Run an analysis (TRACE, HTR, or GRADE)
- Open the ANALYZE tab in the right panel
- Scroll to the results section
- Click Export CSV or Export JSON
CSV files can be opened directly in Excel, Google Sheets, or imported into Python with pandas.read_csv().
