Function computing theoretical monoisotopic masses.

Description

Function computing the theoretical monoisotopic masses for chemical components composed of carbon, hydrogen, oxygen, nitrogen and sulfur (e.g. peptides).

Usage

calculateMonoisotopicMass(aC)

Arguments

Details

Mass is calculated in Daltons.

Value

Monoisotopic mass (numeric)

Author(s)

Piotr Dittwald <piotr.dittwald@mimuw.edu.pl>

References

[Clae] Claesen J., Dittwald P., Burzykowski T. and Valkenborg D. An efficient method to calculate the aggregated isotopic distribution and exact center-masses. JASMS, 2012, doi:10.1007/s13361-011-0326-2

See Also

useBRAIN

Examples

  aC <-  list(C=23832, H=37816, N=6528, O=7031, S=170)  # Human dynein heavy chain
  res <- calculateMonoisotopicMass(aC = aC)

Results

R version 3.3.1 (2016-06-21) -- "Bug in Your Hair"
Copyright (C) 2016 The R Foundation for Statistical Computing
Platform: x86_64-pc-linux-gnu (64-bit)

R is free software and comes with ABSOLUTELY NO WARRANTY.
You are welcome to redistribute it under certain conditions.
Type 'license()' or 'licence()' for distribution details.

R is a collaborative project with many contributors.
Type 'contributors()' for more information and
'citation()' on how to cite R or R packages in publications.

Type 'demo()' for some demos, 'help()' for on-line help, or
'help.start()' for an HTML browser interface to help.
Type 'q()' to quit R.

> library(BRAIN)
Loading required package: PolynomF
Loading required package: Biostrings
Loading required package: BiocGenerics
Loading required package: parallel

Attaching package: 'BiocGenerics'

The following objects are masked from 'package:parallel':

    clusterApply, clusterApplyLB, clusterCall, clusterEvalQ,
    clusterExport, clusterMap, parApply, parCapply, parLapply,
    parLapplyLB, parRapply, parSapply, parSapplyLB

The following objects are masked from 'package:stats':

    IQR, mad, xtabs

The following objects are masked from 'package:base':

    Filter, Find, Map, Position, Reduce, anyDuplicated, append,
    as.data.frame, cbind, colnames, do.call, duplicated, eval, evalq,
    get, grep, grepl, intersect, is.unsorted, lapply, lengths, mapply,
    match, mget, order, paste, pmax, pmax.int, pmin, pmin.int, rank,
    rbind, rownames, sapply, setdiff, sort, table, tapply, union,
    unique, unsplit

Loading required package: S4Vectors
Loading required package: stats4

Attaching package: 'S4Vectors'

The following objects are masked from 'package:base':

    colMeans, colSums, expand.grid, rowMeans, rowSums

Loading required package: IRanges
Loading required package: XVector
Loading required package: lattice
> png(filename="/home/ddbj/snapshot/RGM3/R_BC/result/BRAIN/calculateMonoisotopicMass.Rd_%03d_medium.png", width=480, height=480)
> ### Name: calculateMonoisotopicMass
> ### Title: Function computing theoretical monoisotopic masses.
> ### Aliases: calculateMonoisotopicMass
> 
> ### ** Examples
> 
>   aC <-  list(C=23832, H=37816, N=6528, O=7031, S=170)  # Human dynein heavy chain
>   res <- calculateMonoisotopicMass(aC = aC)
> 
> 
> 
> 
> 
> dev.off()
null device 
          1 
>