container-openms

openMS

Version: 2.1.0

Short Description

OpenMS open source software library for LC/MS data management and analyses

Description

Containerized OpenMS: OpenMS is an open-source software C++ library for LC/MS data management and analyses. It offers an infrastructure for the rapid development of mass spectrometry related software.

OpenMS provides a wide range of customisable tools, specifically designed for all steps in the analysis of non-targeted metabolomics data.

Key features

• LC/MS Processing

Functionality

• Pre-processing
• Annotation / LC/MS
• Post-processing

Approaches

• Metabolomics / Untargeted

Instrument Data Types

• LC/MS

Tool Authors

• The OpenMS consortium

Container Contributors

• Kristian Peters (IPB-Halle)

Website

• http://www.openms.de/

Git Repository

• https://github.com/openms/OpenMS.git

Installation

For local individual installation:

docker pull docker-registry.phenomenal-h2020.eu/phnmnl/openms

Usage Instructions

For direct docker usage:

docker run docker-registry.phenomenal-h2020.eu/phnmnl/openms ...

Publications

• Sturm M, Bertsch A, Gröpl C, Hildebrandt A, Hussong R, Lange E, Pfeifer N, Schulz-Trieglaff O, Zerck A, Reinert K, Kohlbacher O. OpenMS – an Open-Source Software Framework for Mass Spectrometry. BMC Bioinformatics. 2008;9:163. doi:10.1186/1471-2105-9-163.