CarboHydra: Rendering Carbohydrate Cartoons
نویسندگان
چکیده
Molecular visualisation algorithms present simplified views of molecules, which allow chemists to gain insight into their structure and function. Many such algorithms are currently in use, including the ribbon diagrams by Richardson [12], which were developed specifically for viewing proteins. None are customised to the visualisation of carbohydrates – in particular, the rings of atoms formed within them. We present two novel algorithms (PaperChain and Twister) for this purpose. Both algorithms identify these ring structures, and attempt to convey a variety of their properties. We have implemented a molecular viewer which displays carbohydrates using the two novel algorithms, as well as the conventional ball-and-stick view. The system permitted comparative tests of the three algorithms by research chemists, as well as evaluation of the effectiveness of a number of rendering options.
منابع مشابه
Techniques for visualization of carbohydrate molecules.
Standard molecular visualizations, such as the classic ball-and-stick model, are not suitable for large, complex molecules because the overall molecular structure is obscured by the atomic detail. For proteins, the more abstract ribbon and cartoon representations are instead used to reveal large scale molecular conformation and connectivity. However, there is currently no accepted convention fo...
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