PyKnot: a PyMOL tool for the discovery and analysis of knots in proteins
PyKnot: a PyMOL tool for the discovery and analysis of knots in proteins
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DOI：
10.1093/bioinformatics/bts299
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发表时间：
2012-08-01
期刊：
影响因子：
5.8
通讯作者：
Lua, Rhonald C.
中科院分区：
文献类型：
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作者：
Lua, Rhonald C.
了解打结和非打结蛋白质结构之间的差异可能有助于了解蛋白质如何折叠。为了描述蛋白质中结的类型，我们开发了PyKnot，这是一个插件，可以在PyMOL分子查看器中无缝工作，并提供快速结果，包括结的不变量，交叉数和简化的结投影和骨干。PyKnot可能对对大分子中的结分类感兴趣的研究人员有用，并为生物学和化学专业的学生提供学习拓扑和大分子可视化的工具。
Understanding the differences between knotted and unknotted protein structures may offer insights into how proteins fold. To characterize the type of knot in a protein, we have developed PyKnot, a plugin that works seamlessly within the PyMOL molecular viewer and gives quick results including the knot's invariants, crossing numbers and simplified knot projections and backbones. PyKnot may be useful to researchers interested in classifying knots in macromolecules and provides tools for students of biology and chemistry with which to learn topology and macromolecular visualization.