Author:
Cao Jian,Feng Zhenjie,Lv Binfeng,Sun Xiaowei,Chang Shihui,Zhang Jincang,Zhang Tongyi
Abstract
This work presents present iModel, an interactive 3D crystal structure visualization program capable of reading crystal structure datafiles in various formats and rendering corresponding 3D models. Users can interact with the models by translating, rotating and zooming in on them. The software visualizes crystal structures, including atoms, bonds, unit cells and polyhedral shapes using spheres, lines and polyhedra, with customizable colors and sizes for individual atoms and bonds. The software features perspective and orthogonal projections, multiple chemical bond search modes, and a user-friendly toolbar for view control, and exports models as images or saves progress in project files. Developed on the LabVIEW platform with Python extensions, the iModel program leverages a queue message handler and producer–consumer pattern for a modular, reusable and powerful crystal structure visualization tool.
Funder
Key Research Project of Zhejiang Laboratory
Science and Technology Commission of Shanghai Municipality
National Natural Science Foundation of China
Publisher
International Union of Crystallography (IUCr)
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