Crystallographic computing

Crystallographic computing refers to the use of computer techniques to analyze the structure of crystals at the atomic level. Scientists employ these methods to interpret data from X-ray diffraction, a technique that reveals how X-rays scatter off atoms in a crystal. This information helps determine the arrangement of atoms, which is crucial for understanding material properties, chemical behavior, and biological functions. By using advanced algorithms and software, researchers can visualize and predict how molecules interact, leading to advancements in fields like drug discovery, materials science, and nanotechnology.