makeFragments {wrTopDownFrag}

Make terminal and internal fragments from proteins

Description

Makes terminal and internal fragments based on protein-sequence and present as matrix including heading and/or tailing amino-acid or theoretical molecular mass of all fragments. As the number of theoretically possible fragments increases with the size of the peptide/protein treated it is recommended to adopt arguments like masFragSize to realizstic values for the type of mass spectrometer used, since efficient filtering will reduce considerably the amount of memory (RAM) needed and will improve overal performance.

Usage

makeFragments(
  protTab,
  minFragSize = 6,
  maxFragSize = 300,
  internFra = TRUE,
  knownMods = NULL,
  redRedundSeq = FALSE,
  prefFragPat = NULL,
  remNonConfPrefFragm = TRUE,
  ambigLab = c(duplSequence = "duplSequence", isoMass = "isoMass"),
  massTy = "mono",
  specModif = NULL,
  silent = FALSE,
  debug = FALSE,
  callFrom = NULL
)

Arguments

protTab

(character or matrix) named vector of protein-seqences to fragment or matrix (character) with lines for initial proteins/peptides, cols as name/sequence/mass

minFragSize

(integer) minimum number of amino-acids for being considered

maxFragSize

(integer) maximum number of amino-acids for being considered

internFra

(logical) toggle if internal framents will be produced or not

knownMods

(character) optional custom alternative to AAfragSettings(ou="all")$knownMods

redRedundSeq

(logical) reduce redundant sequences to 1st appearance in all further treatments

prefFragPat

(matrix) for preferential fragmentation rules (see also .prefFragPattern)

remNonConfPrefFragm

(logical) allows to remove (peptide-)fragments non conform with preferential fragmentation rules (using evalIsoFragm)

ambigLab

(character) text-labels for ambiguities (first for duplicated sequences second for iso-mass)

massTy

(character) default 'mono' for mono-isotopic masses (alterative 'average')

specModif

(list) supplemental custom fixed or variable modifications (eg Zn++ at given residue)

silent

(logical) suppress messages

debug

(logical) for bug-tracking: more/enhanced messages

callFrom

(character) allow easier tracking of message(s) produced

Value

matrix with fragment sequence, mass, start- and end-position, heading and tailing AA (or NA if terminal fragment)

See Also

makeFragments; evalIsoFragm, from package wrProteo convAASeq2mass, AAmass, massDeFormula

Examples

protP <- c(protP="PEPTIDE")
pepT1 <- makeFragments(protTab=protP, minFragSize=2, maxFragSize=9, internFra=TRUE)
tail(pepT1)