:orphan: .. only available via index, not via toctree .. title:: Package Recipe 'proteomiqon-peptidespectrummatching' .. highlight: bash proteomiqon-peptidespectrummatching =================================== .. conda:recipe:: proteomiqon-peptidespectrummatching :replaces_section_title: :noindex: Given raw an MS run in the mzLite format\, this tool iterates across all MS\/MS scans\, determines precursor charge states and possible peptide spectrum matches using reimplementations of SEQUEST\, Andromeda and XTandem. :homepage: https://csbiology.github.io/ProteomIQon/ :documentation: https://csbiology.github.io/ProteomIQon/tools/PeptideSpectrumMatching.html :developer docs: https://github.com/CSBiology/ProteomIQon :license: MIT :recipe: /`proteomiqon-peptidespectrummatching `_/`meta.yaml `_ Given raw a MS run in the mzLite or mzml format\, this tool iterates accross all recorded MS\/MS scans and determines the charge state of precursor ions which were selected for fragmentation. With this it is possible to query the peptide data base for every precursor ion mass \+\/\- a tolerance \(which defines the so called \'search space\'\) and retrieve peptides that are theoretical candidates for a match. For each of the peptide candidates we create an theoretical spectrum in silico and compare it to the measured MS\/MS scan. .. conda:package:: proteomiqon-peptidespectrummatching |downloads_proteomiqon-peptidespectrummatching| |docker_proteomiqon-peptidespectrummatching| :versions: ``0.0.7-1``,  ``0.0.7-0``,  ``0.0.6-0``,  ``0.0.5-0``,  ``0.0.4-0``,  ``0.0.3-0`` :depends dotnet-runtime: ``5.0.*`` :depends openssl: ``1.1.*`` :requirements: .. rubric:: Installation You need a conda-compatible package manager (currently either `micromamba `_, `mamba `_, or `conda `_) and the Bioconda channel already activated (see :ref:`set-up-channels`). While any of above package managers is fine, it is currently recommended to use either micromamba or mamba (see `here `_ for installation instructions). We will show all commands using mamba below, but the arguments are the same for the two others. Given that you already have a conda environment in which you want to have this package, install with:: mamba install proteomiqon-peptidespectrummatching and update with:: mamba update proteomiqon-peptidespectrummatching To create a new environment, run:: mamba create --name myenvname proteomiqon-peptidespectrummatching with ``myenvname`` being a reasonable name for the environment (see e.g. the `mamba docs `_ for details and further options). Alternatively, use the docker container:: docker pull quay.io/biocontainers/proteomiqon-peptidespectrummatching: (see `proteomiqon-peptidespectrummatching/tags`_ for valid values for ````) .. |downloads_proteomiqon-peptidespectrummatching| image:: https://img.shields.io/conda/dn/bioconda/proteomiqon-peptidespectrummatching.svg?style=flat :target: https://anaconda.org/bioconda/proteomiqon-peptidespectrummatching :alt: (downloads) .. |docker_proteomiqon-peptidespectrummatching| image:: https://quay.io/repository/biocontainers/proteomiqon-peptidespectrummatching/status :target: https://quay.io/repository/biocontainers/proteomiqon-peptidespectrummatching .. _`proteomiqon-peptidespectrummatching/tags`: https://quay.io/repository/biocontainers/proteomiqon-peptidespectrummatching?tab=tags .. raw:: html Download stats ----------------- .. raw:: html :file: ../../templates/package_dashboard.html Link to this page ----------------- Render an |install-with-bioconda| badge with the following MarkDown:: [![install with bioconda](https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat)](http://bioconda.github.io/recipes/proteomiqon-peptidespectrummatching/README.html) .. |install-with-bioconda| image:: https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat :target: http://bioconda.github.io/recipes/proteomiqon-peptidespectrummatching/README.html