Protein Contact Network (PCN) is a powerful tool for analysing the structure and function of proteins. In particular, PCN has been used for disclosing the molecular features of allosteric regulation through PCN clustering. Such analysis is relevant in many applications, such as the recent study of SARS-CoV-2 Spike Protein. Despite its relevance, methods for the analysis of PCN are spread into a set of different libraries and tools. Therefore, the introduction of a tool that incorporates all the function may help researchers. We present PCN-Miner a software tool implemented in the Python programming language able to import protein in the Protein Data Bank format and generate the corresponding protein contact network. Then it offers a set of algorithms for the analysis of PCS that cover a large set of applications: from clustering to embedding and subsequent analysis. Software is available at \url{https://github.com/hguzzi/ProteinContactNetworks}
翻译:蛋白质联系网络(PCN)是分析蛋白质结构和功能的有力工具,特别是,PCN一直被用于通过PCN集群披露异丙醇调节的分子特性,这种分析在许多应用中都具有相关性,例如最近对SARS-CoV-2 Spik Protein的研究。尽管具有相关性,但PCN的分析方法分散到一系列不同的图书馆和工具中。因此,引入一个包含所有功能的工具可能有助于研究人员。我们用PCN-Miner提供了一种软件工具,用Python编程语言将蛋白质输入蛋白质数据库格式,并生成相应的蛋白质联系网络。然后,这种分析提供了一套算法,用于分析PCS的大规模应用:从组合到嵌入和随后的分析。软件可在以下的url{https://github.com/hguzzi/ProteinContactNetworks}查阅。