singlecrystal ☆

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Description:
Crystal diffraction software

Type: Cask | Latest Version: 5.3.1@0 | Tracked Since: Dec 28, 2025

Links: Homepage | formulae.brew.sh

Category: Other

Tags: crystallography diffraction materials-science visualization research

Install: brew install --cask singlecrystal

About:
SingleCrystal is an interactive tool for visualizing and analyzing crystal structures. It enables users to explore diffraction patterns, reciprocal lattices, and orientation relationships. The software is valuable for researchers and educators in materials science and mineralogy.

Key Features:

3D visualization of crystal structures and unit cells
Simulation of X-ray and electron diffraction patterns
Interactive reciprocal lattice and stereographic projections
Export options for figures and data

Use Cases:

Teaching crystallography and diffraction concepts in a classroom setting
Research analysis of orientation relationships and phase identification

Alternatives:

VESTA – Free visualization tool with strong structural editing; SingleCrystal focuses more on diffraction pattern simulation.
Olex2 – Crystallography suite for structure refinement; SingleCrystal emphasizes visualization and educational workflows.

Version History

Detected	Version	Rev	Change	Commit
Jul 30, 2024 8:09pm	5.1.1	0	VERSION_BUMP	6a47666c