Web demo

The hosted viewer packages the PQViewer frontend and a SrTiO3 perovskite dataset as static files. It runs without a Python server.

Available in the demo

• rotation, zoom, selection, and keyboard navigation

• atom coordinates, element identity, cell parameters, vectors, and periodic axes

• atoms, inferred bonds, cell, polyhedra, and surfaces

• View, Edit, and Analyze tools

• atom, setting, and command search

• edited EXTXYZ download

• PNG and TIFF output through the independent publication renderer

Use the visible Search field or press Cmd/Ctrl+K or /. Search for Polyhedra to inspect complete TiO6 octahedra, or search for edit lattice vectors to open the cell matrix.

Edits remain in the browser and reset when the page reloads. No structure is uploaded by the static demo.

Local-only features

GitHub Pages has no Python process. The demo cannot open arbitrary local files, follow a growing trajectory, join PQ restart runs, or calculate pair distribution and coordination curves through PQAnalysis.

Follow Getting started to run PQViewer locally with those features. The local server binds to 127.0.0.1 by default.

Deployment

The Pages workflow builds this documentation and the fixed-dataset viewer as one artifact. Pushes to main publish it through the repository’s GitHub Pages environment.