结论:我们引入了一个用于预测蛋白质生物物理特性的统一Python包,简化Bio2Byte研究小组开发的以前的工具。该套件有助于对蛋白质特性进行全面评估,结合骨干和侧链动力学的预测因子,局部二级结构倾向,早期折叠,长期无序,β-折叠聚集和类FUS相分离。我们的软件包极大地简化了这些工具的集成和执行,提高计算和实验研究人员的可及性。
方法:该套件可在Python包索引(PyPI)中找到:https://pypi.org/project/b2bTools/和Bioconda:https://bioconda。github.io/食谱/b2btools/自述文件。适用于Linux和macOS系统的html,使用托管在Biocontainers上的Docker映像:https://quay.io/repository/biocontainers/b2btools?tab=tags&tag=latest和DockerHub:https://hub。docker.com/u/bio2byte.可以在GalaxyEurope上进行在线部署:https://usegaleum。eu/root?tool_id=b2btools_single_sequence和我们的在线服务器:https://bio2byte。是/b2btools/。源代码可以在https://bitbucket.org/bio2byte/b2btools_releases找到。
背景:补充信息可在Bioinformatics在线获得。
CONCLUSIONS: We introduce a unified Python package for the prediction of protein biophysical properties, streamlining previous tools developed by the Bio2Byte research group. This suite facilitates comprehensive assessments of protein characteristics, incorporating predictors for backbone and sidechain dynamics, local secondary structure propensities, early folding, long disorder, beta-sheet aggregation and FUS-like phase separation. Our package significantly eases the integration and execution of these tools, enhancing accessibility for both computational and experimental researchers.
METHODS: The suite is available on the Python Package Index (PyPI): https://pypi.org/project/b2bTools/ and Bioconda: https://bioconda.github.io/recipes/b2btools/README.html for Linux and macOS systems, with Docker images hosted on Biocontainers: https://quay.io/repository/biocontainers/b2btools?tab=tags&tag=latest and Docker Hub: https://hub.docker.com/u/bio2byte. Online deployments are available on Galaxy Europe: https://usegalaxy.eu/root?tool_id=b2btools_single_sequence and our online server: https://bio2byte.be/b2btools/. The source code can be found at https://bitbucket.org/bio2byte/b2btools_releases.
BACKGROUND: Supplementary information are available at Bioinformatics online.