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HOMELETTE:同源建模软件的统一接口。

HOMELETTE: a unified interface to homology modelling software.

机构信息

Systems Biology Ireland and UCD Charles Institute of Dermatology, School of Medicine, University College Dublin, Dublin 4, Ireland.

出版信息

Bioinformatics. 2022 Mar 4;38(6):1749-1751. doi: 10.1093/bioinformatics/btab866.

Abstract

SUMMARY

Homology modelling, the technique of generating models of 3D protein structures based on experimental structures from related proteins, has become increasingly popular over the years. An abundance of different tools for model generation and model evaluation is available from various research groups. We present HOMELETTE, an interface which implements a unified programmatic access to these tools. This allows for the assemble of custom pipelines from pre- or self-implemented building blocks.

AVAILABILITY AND IMPLEMENTATION

HOMELETTE is implemented in Python, compatible with version 3.6 and newer. It is distributed under the MIT license. Documentation and tutorials are available at Read the Docs (https://homelette.readthedocs.io/). The latest version of HOMELETTE is available on PyPI (https://pypi.org/project/homelette/) and GitHub (https://github.com/PhilippJunk/homelette). A full installation of the latest version of HOMELETTE with all dependencies is also available as a Docker container (https://hub.docker.com/r/philippjunk/homelette_template).

SUPPLEMENTARY INFORMATION

Supplementary data are available at Bioinformatics online.

摘要

摘要

同源建模是一种基于相关蛋白质的实验结构生成 3D 蛋白质结构模型的技术,近年来越来越流行。不同的研究小组提供了大量用于模型生成和模型评估的不同工具。我们提出了 HOMELETTE,这是一个实现对这些工具进行统一编程访问的接口。这允许从预实现或自实现的构建块组装自定义管道。

可用性和实现

HOMELETTE 是用 Python 实现的,与 3.6 及更高版本兼容。它是根据 MIT 许可证分发的。文档和教程可在 Read the Docs(https://homelette.readthedocs.io/)上找到。HOMELETTE 的最新版本可在 PyPI(https://pypi.org/project/homelette/)和 GitHub(https://github.com/PhilippJunk/homelette)上获得。最新版本的 HOMELETTE 及其所有依赖项也可以作为 Docker 容器(https://hub.docker.com/r/philippjunk/homelette_template)获得。

补充信息

补充数据可在 Bioinformatics 在线获得。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5ae9/8896651/c1dc7603d105/btab866f1.jpg

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