PQViewer

Inspect a structure, select atoms, and follow measurements through a trajectory.

pqviewer trajectory.xyz

Python 3.12+ and WebGL 2. Install or try the water trajectory, or open the SrTiO3 demo.

Task	Guide
View, select and measure	Visual GUI guide
Open files and check units	Getting started, Conventions
Plot a trajectory or pair distribution	Analysis
Save a scientific figure	Figures and recipes
Connect from a cluster or home VPN	Remote access

Scientific example

ACOF rendered in PQViewer. See periodic conventions for the distinction between centred wrapping and shortest-image geometry.

ACOF comes from PQAnalysis; SrTiO3 and water are synthetic fixtures. See example provenance. Figure recipes and their coordinate sources are linked in Figures and recipes.

PQViewer is in public beta; file and Python interfaces may change before 1.0.