#' @export mswhimScores
#' @title Compute the MS-WHIM scores of a protein sequence
#' @description MS-WHIM scores were derived from 36 electrostatic potential properties derived from the three-dimensional structure of the 20 natural amino acids
#' @references Zaliani, A., & Gancia, E. (1999). MS-WHIM scores for amino acids: a new 3D-description for peptide QSAR and QSPR studies. Journal of chemical information and computer sciences, 39(3), 525-533.
#' @param seq An amino-acids sequence
#' @return The computed average of MS-WHIM scores of all the amino acids in the corresponding peptide sequence.
#' @examples mswhimScores(seq = "KLKLLLLLKLK")
#' # [[1]]
#' # MSWHIM1 MSWHIM2 MSWHIM3
#' # -0.6563636 0.4872727 0.1163636
mswhimScores <- function(seq){
# Remove spaces and line breaks
# Split the sequence by amino-acids
seq <- aaCheck(seq)
# Load the MSWHIM scores
scales <- AAdata$MSWHIM
# Computes the MSWHIM scores for given sequences
lapply(seq, function(seq) {
sapply(names(scales), function(scale) {
(sum(scales[[scale]][seq], na.rm = TRUE) / length(seq))
})
})
}
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