This Application Note is a guide for the use of the NCIPLOT4 code in the analysis of noncovalent interactions in biomacromolecular systems. Through a series of examples, the reader is walked through the process of calculating and interpreting noncovalent interaction density integrals corresponding to attractive, van der Waals, and repulsive terms in protein-ligand and protein-protein interaction problems. These integrals are robust and powerful tools to quickly obtain a semiquantitative picture of noncovalent interactions in complex systems with a temporal resolution (along a trajectory) and allow a flexible factorization of the noncovalent interactions network that permits the simultaneous evaluation of a wide range of contacts. The NCIPLOT4 code is publicly available at https://github.com/juliacontrerasgarcia/nciplot .

中文翻译：

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NCIPLOT4生物分子指南：非共价相互作用的分析工具。

本应用指南是在生物大分子系统中非共价相互作用分析中使用NCIPLOT4代码的指南。通过一系列示例，读者将逐步了解计算和解释与蛋白质-配体和蛋白质-蛋白质相互作用问题中的吸引，范德华和斥力项相对应的非共价相互作用密度积分的过程。这些积分是功能强大且功能强大的工具，可以通过时间分辨率（沿着轨迹）快速获得复杂系统中非共价相互作用的半定量图像，并可以灵活地分解非共价相互作用网络，从而允许同时评估多种接触。NCIPLOT4代码可从https://github.com/juliacontrerasgarcia/nciplot公开获得。