shapeXT is now available for download. Experience the first public demo of this new 3D structure visualization and interactive analysis tool.

I am pleased to announce that the first public demo of shapeXT is now available for download. After years of development, this marks an important milestone in providing the inorganic, crystallographic, and theoretical chemistry communities with a fast, modern tool for 3D structure visualization and interactive analysis.

See Demo

What’s Included

The demo allows you to fully explore the user interface and core workflows without any restrictions on the size of your chemical structures. Key capabilities include:

  • High-performance 3D visualization powered by the Vulkan 1.3 graphics API, designed to handle tens of thousands of atoms smoothly.
  • Interactive structure analysis, including Continuous Shape Measures (CShM), Bond Valence Sums (BVS), and Visible Solid Angle (VSA) evaluations.
  • Live property updates, such as simulated powder X-ray diffraction (PXRD) patterns and volumetric contact surfaces that update in real time as you edit the unit cell.
  • Support for large periodic frameworks like MOFs, zeolites, and crystalline materials, alongside isolated molecular complexes.

Demo Limitations

To allow for a comprehensive evaluation prior to purchase, the demo version provides access to the full UI and analysis tools, but includes the following restrictions:

  • Project files (.sxt, .jsxt) cannot be saved or exported.
  • All exported and rendered images feature a “DEMO” watermark and are restricted to a maximum dimension of 1024 × 1024 pixels.
  • Continuous Shape Measures (CShM) analysis is restricted to coordination numbers 2 through 7.
  • Embedding structure data into PNG images (Smart PNG) is disabled.
  • Exporting structures to 3D model formats (OBJ/STL/PLY/glTF/GLB/USD) is disabled.
  • Advanced format exports, such as LaTeX geometry tables, are disabled.
  • Direct structure retrieval from the Crystallography Open Database (COD) is disabled.

Supported Platforms

shapeXT runs natively on:

  • Windows 10/11 (64-bit)
  • macOS 15 or newer (Apple Silicon only)
  • GNU/Linux (64-bit distributions such as Debian 13 and Ubuntu 24.04 LTS)

Early Bird Discount

If you are interested in upgrading to the full version, you can currently take advantage of an Early Bird offer. Secure a 30% discount (valid until December 31, 2026) on a shapeXT license.

See the Pricing page for details and to purchase a license.

Getting Started

Head over to the Tutorials section to learn how to get started, or visit the Features page to explore what shapeXT can do for your daily research workflow.

Thank you for your interest in shapeXT. I look forward to your feedback!