recipe bioconductor-rmassbank

Workflow to process tandem MS files and build MassBank records

Homepage

https://bioconductor.org/packages/3.14/bioc/html/RMassBank.html

License

Artistic-2.0

Recipe

/bioconductor-rmassbank/meta.yaml

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.

package bioconductor-rmassbank

Versions

3.4.0-1,  3.4.0-0,  3.2.0-0,  3.0.0-1,  3.0.0-0,  2.13.0-0,  2.12.0-1,  2.10.1-0

Depends

• bioconductor-biobase >=2.54.0,<2.55.0

• bioconductor-msnbase >=2.20.0,<2.21.0

• bioconductor-mzr >=2.28.0,<2.29.0

• bioconductor-s4vectors >=0.32.0,<0.33.0

• libblas >=3.8.0,<4.0a0

• libgcc-ng >=10.3.0

• liblapack >=3.8.0,<4.0a0

• libstdcxx-ng >=10.3.0

• openbabel

• r-assertthat

• r-base >=4.1,<4.2.0a0

• r-digest

• r-envipat

• r-httr

• r-logger

• r-rcdk

• r-rcpp

• r-rcurl

• r-rjson

• r-xml

• r-yaml

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>)

Download stats

Link to this page

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