recipe bioconductor-rmassbank

Workflow to process tandem MS files and build MassBank records. Functions include automated extraction of tandem MS spectra, formula assignment to tandem MS fragments, recalibration of tandem MS spectra with assigned fragments, spectrum cleanup, automated retrieval of compound information from Internet databases, and export to MassBank records.

Homepage

https://bioconductor.org/packages/3.9/bioc/html/RMassBank.html

License

Artistic-2.0

Recipe

/bioconductor-rmassbank/meta.yaml

package bioconductor-rmassbank

(downloads) docker_bioconductor-rmassbank

Versions

2.10.1-0

Depends
Required By

Installation

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

conda install bioconductor-rmassbank

and update with:

conda update bioconductor-rmassbank

or use the docker container:

docker pull quay.io/biocontainers/bioconductor-rmassbank:<tag>

(see bioconductor-rmassbank/tags for valid values for <tag>)