shapeXT

LAUNCHING OCTOBER 2026

shapeXT will officially launch in October 2026 together a free trial version. Test shapeXT hands-on before the release at the GDCh Conference on Inorganic Chemistry (September 7–9, 2026 in Jena, Germany). Visit the shapeXT exhibition booth to test the application live, and feel free to bring your own structure files on a USB drive.

shapeXT is a native, cross-platform 3D visualization and analysis application engineered specifically for crystal structures, extended molecular frameworks, and quantum chemistry.

Written from scratch in modern C++23, it replaces the lag and memory limits of legacy 32-bit software with a high-performance graphics engine. It bridges the traditional gap between experimental crystallography and theoretical chemistry, giving researchers a single, responsive workspace to inspect large unit cells, calculate and visualize properties in real time, and prepare publication-ready figures.

shapeXT Interface
The unified shapeXT workspace with powder diffraction (PXRD).

Core Features

  • Interactive Crystallography & Modeling: Multithreaded structure growth, cell filling, and Voronoi polyhedral analysis optimized for complex networks like MOFs, supporting all 230 space groups.

  • Diffraction & Physical Insight: Real-time powder diffraction patterns (PXRD) and properties update dynamically in the viewport as atoms and coordinates are edited.

  • Theory & Experiment Combined: Rendering of molecular orbitals and electron densities from Gaussian Cube and ORCA files using GPU compute shaders for live isosurface manipulation.

  • Interoperability: Direct import of CIFs, SHELX, DIAMOND documents, and open JSON/UBJSON storage ensure your scientific data remains accessible.

  • Zero Lock-in: With the perpetual fallback license you retain permanent, unrestricted access to every shapeXT version released during your active license term, preventing a proprietary lock-in and ongoing subscription traps.

  • Privacy: Local, native execution on Windows, macOS, and Linux with zero telemetry. Your research data never leaves your machine.

Explore shapeXT

Features Showcase Principles Tutorials How to Cite

Conference Materials

Introducing shapeXT

shapeXT will be presented for the first time at the GDCh Conference on Inorganic Chemistry (September 7–9, 2026).

Date:

September 7–9, 2026

Conference / Location:

GDCh Conference on Inorganic Chemistry in Jena, Germany.

Download Product Flyer (PDF)
shapeXT Flyer 2026