PQViewer

PQViewer opens molecular structures and trajectories from PQ in a local browser, with optional ASE format support. It provides indexed playback, centred periodic cells, measurements, and reproducible figure export.

Documentation · Web demo · Jupyter example

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

Install

PQViewer requires Python 3.12 or newer. The distribution is named MolarVerse-PQViewer; the application, import package, and command remain PQViewer, pqviewer, and pqviewer.

python -m pip install MolarVerse-PQViewer
pqviewer

Node.js is not required. Optional ASE format support is installed with python -m pip install 'MolarVerse-PQViewer[ase]'.

The CLI also accepts PQ inputs, run directories, ASE sources, and frame slices. See Getting started for examples.

Viewer

• 3Dmol.js atoms, bonds, protein cartoons, surfaces, cells, and selections
• centred orthorhombic and triclinic cells, wrapping, and molecule reconstruction
• atom and cell editing with EXTXYZ download
• trajectory playback, measurements, analysis, forces, and collision indicators
• independent PNG and TIFF figure rendering with reusable recipes

Use View, Edit, and Analyze without leaving the structure. On a narrow screen, Tools opens the same controls in a sheet; the camera and structure remain available. Search atoms, settings, and commands with the Search control, Cmd/Ctrl+K, or /.

Jupyter

python -m pip install 'MolarVerse-PQViewer[jupyter,ase]'

from pqviewer import view

viewer = view("trajectory.xyz", height=620)
viewer

The notebook cell embeds the local viewer. Call viewer.close() when finished. See the Jupyter guide for files, ASE objects, companion data, and remote kernels.

Project

Contributing · Citation · Security · Changelog · License · Third-party notices

PQViewer binds to 127.0.0.1 by default and does not provide authentication. Do not expose the local server to an untrusted network.