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enviPat
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enviPat

enviPat is a tool to calculate isotope fine structures. The enviPat algorithm uses pruned transition trees. The enviPat package includes functions for instrument-specific envelope and centroid calculation, batch processing, molecular formula parsing for a variety of adducts commonly formed during electrospray ionization (ESI), user-defined inputs cover absolute and relative pruning thresholds, charge states, resolution-dependent envelope discretization, and enriched isotope tables, and more.



enviPat

enviPat is a tool to calculate isotope fine structures. The enviPat algorithm uses pruned transition trees. The enviPat package includes functions for instrument-specific envelope and centroid calculation, batch processing, molecular formula parsing for a variety of adducts commonly formed during electrospray ionization (ESI), user-defined inputs cover absolute and relative pruning thresholds, charge states, resolution-dependent envelope discretization, and enriched isotope tables, and more.

Topic

Proteomics; Proteomics experiment; Statistics and probability

Details

  • Operation: Plotting; Isotopic distributions calculation; Statistical calculation
  • Software interface: Command-line user interface; Web user interface
  • Language: R
  • Operating system: Linux; Mac OS X; Microsoft Windows
  • License: GNU GPL v2
    • Cost: Free
  • Version name: 2.4
    • Maturity: Stable
  • Credit: Swiss FederalOffice for the Environments (FOEN), the Swiss National Science Foundation (SNF).
  • Contact: Martin Loos mloos _at_ envibee.ch | gerberch _at_ eawag.ch
  • Collection: -

Publications

Loos M, Gerber C, Corona F, Hollender J, Singer H "Accelerated isotope fine structure calculation using pruned transition trees." Anal. Chem. 2015; 87(11):5738-44 https://doi.org/10.1021/acs.analchem.5b00941
PMID: 25929282


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