getAtomsFromSeq: Function computing an atomic composition from amono acid...

In ditti2/BRAIN: Baffling Recursive Algorithm for Isotope distributioN calculations

Description

Function computing an atomic composition from (naturally occuring) amino acid sequence.

Usage

getAtomsFromSeq(seq)

Arguments

seq	The character vector of AAString (see Biostrings package) with amino acid sequence. It should contain only letters "A", "R", "N", "D", "C", "E", "Q", "G", "H", "I", "L", "K", "M", "F", "P", "S", "T", "W", "Y", "V" (1-letter symbols of 20 naturally occuring amino acids).

Details

The atomic composition is just a summaric atomic composition of all amino acids composing the sequence minus (n-1) times the water molecule, where n is a length of given amino acid sequence.

Value

Named list with the following fields with number of correcponding atoms (integer non-negative values):

• C,

• H,

• N,

• O,

• S

Author(s)

Piotr Dittwald <[e-mail]>

Examples

  seq1 <-  "AACD"
  aC1 <- getAtomsFromSeq(seq = seq1)
  seq2 <-  AAString("ACCD")
  aC2 <- getAtomsFromSeq(seq = seq2)

ditti2/BRAIN documentation built on Feb. 10, 2020, 5:43 a.m.