Difference between revisions of "Metabomatching"

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* To run metabomatching on your own pseudospectra, please refer to the documentation ([https://github.com/rrueedi/metabomatching-pre/blob/master/documentation/howto.pdf PDF]).  
 
* To run metabomatching on your own pseudospectra, please refer to the documentation ([https://github.com/rrueedi/metabomatching-pre/blob/master/documentation/howto.pdf PDF]).  
  
* To run metabomatching directly, fully featured, and fully up to date (on a system running either Matlab or octave), metabomatching can also be obtained from GitHub<br/><code>https://github.com/rrueedi/metabomatching-pre.git</code><br/>
+
* To run metabomatching directly, fully featured, and fully up to date (on a system running either Matlab or octave), metabomatching can also be obtained from GitHub<br/><code>https://github.com/rrueedi/metabomatching.git</code><br/>
  
  

Revision as of 16:50, 16 November 2017

Metabomatching is a procedure to identify compounds from spectral features that jointly associate with genotypes.

Software

  • The simplest method to run metabomatching is to use its implementation in the PhenoMeNal portal public.phenomenal-h2020.eu, located in the NMR section. Because the PhenoMeNal implementation is designed for ease of use, some advanced features may not be accessible. A set of test data is provided.
  • Alternatively, the metabomatching docker image can be pulled and run locally. With a working docker installation (get docker), run
    docker pull docker-registry.phenomenal-h2020.eu/phnmnl/metabomatching
    to download the metabomatching container. The download may take some time, as the container includes a full Linux OS, octave to run metabomatching, and inkscape to convert metabomatching figures from SVG to PDF. To run metabomatching on the included sample pseudospectrum, run
    docker run -i -v <absolute/path/to/my/directory>:/mm-ps metabomatching/metabomatching
    which will run metabomatching, and write results to <absolute/path/to/my/directory>. Note that on Windows, the absolute path must be formatted without using a colon, so to use the directory C:\MyDir, the path must be formatted as //c/MyDir,
  • To run metabomatching on your own pseudospectra, please refer to the documentation (PDF).


Examples

The procedure was in applied in


Questions, Comments

contact metabomatching(at)unil(dot)ch