CrystalMaker11.7.2

CrystalMaker lets users build, inspect, and animate crystal and molecular structures on macOS, turning complex materials into interactive three-dimensional models. Rotatable animations and dynamic visualization help researchers examine atomic arrangements, bonding, pores, and crystal morphology from different perspectives. Its energy-modelling tools can design and relax structures, including metal-organic frameworks and ZIFs, through an integrated crystal-energy engine.

The engine combines a large library of parameterized potentials with selection rules based on bonding criteria and atomic environments, then minimizes energy using a hybrid Monte Carlo and least-squares method. Users can simulate temperature and pressure, investigate physical and thermodynamic properties, display close contacts, predict crystal shapes, and explore lattice dynamics. The program also provides crystal IR spectra, automatic ring measurement, Create Slab, space-filling poly spheres, porosity visualization, and twin-morphology studies such as albite models.

Crystallographers, materials scientists, chemists, and students can use it for teaching, structure interpretation, molecular modelling, and research on complex solids; XYZ Extended I/O supports data exchange, while AI-powered hand tracking and the Liquid Glass interface add newer interaction options. CrystalMaker grew from a ten-year research project involving a sponsored Ph.D. project and a Knowledge Transfer Partnership focused on accessible energy-modelling and lattice-dynamics tools for personal computers.

As freeware in the Education category, the current version is 11.7.2 and runs natively on Intel and Apple Silicon architectures. Recent feature additions include automatic ring measurement, space-filling poly spheres, and extended XYZ input/output, complementing the program’s established modelling and visualization capabilities.