MetumpX-一个用于非靶向质谱的代谢组学支持包。

MetumpX-a metabolomics support package for untargeted mass spectrometry.

机构信息

Department of Information Systems, University of Management and Technology, Lahore 54000, Punjab, Pakistan.

Department of Electrical-Electronics Engineering, Istanbul Commerce University, Istanbul 34110, Turkey.

出版信息

Bioinformatics. 2020 Mar 1;36(5):1647-1648. doi: 10.1093/bioinformatics/btz765.

DOI:10.1093/bioinformatics/btz765

PMID:31596440

Abstract

MOTIVATION

Metabolomics is a data analysis and interpretation field aiming to study functions of small molecules within the organism. Consequently Metabolomics requires researchers in life sciences to be comfortable in downloading, installing and scripting of software that are mostly not user friendly and lack basic GUIs. As the researchers struggle with these skills, there is a dire need to develop software packages that can automatically install software pipelines truly speeding up the learning curve to build software workstations. Therefore, this paper aims to provide MetumpX, a software package that eases in the installation of 103 software by automatically resolving their individual dependencies and also allowing the users to choose which software works best for them.

RESULTS

MetumpX is a Ubuntu-based software package that facilitate easy download and installation of 103 tools spread across the standard metabolomics pipeline. As far as the authors know MetumpX is the only solution of its kind where the focus lies on automating development of software workstations.

AVAILABILITY AND IMPLEMENTATION

https://github.com/hasaniqbal777/MetumpX-bin.

SUPPLEMENTARY INFORMATION

Supplementary data are available at Bioinformatics online.

摘要

动机

代谢组学是一个数据分析和解释领域，旨在研究生物体中小分子的功能。因此，代谢组学要求生命科学研究人员能够熟练地下载、安装和编写软件，而这些软件大多不友好，缺乏基本的图形用户界面。由于研究人员在这些技能方面存在困难，因此迫切需要开发能够自动安装软件管道的软件包，从而真正加快学习曲线，构建软件工作站。因此，本文旨在提供 MetumpX，这是一个软件包，可通过自动解决其各个依赖项来简化 103 个软件的安装，同时允许用户选择最适合他们的软件。