recipe msp2db

Python package to create an SQLite database from a collection of MSP mass spectromertry spectra files. Currently works with MSP files formated as MassBank records or as MoNA records. The resulting SQLite database can be used for spectral matching with msPurity Bioconductor R package,

Homepage

https://github.com/computational-metabolomics/msp2db

License

GPL3 / GNU General Public v3 (GPLv3)

Recipe

/msp2db/meta.yaml

package msp2db

(downloads) docker_msp2db

Versions

0.0.9-10.0.9-00.0.7-00.0.6-0

Depends
Required By

Installation

With an activated Bioconda channel (see 2. Set up channels), install with:

conda install msp2db

and update with:

conda update msp2db

or use the docker container:

docker pull quay.io/biocontainers/msp2db:<tag>

(see msp2db/tags for valid values for <tag>)