calcParProtSeqSim: Parallellized Protein Sequence Similarity Calculation based...

In nanxstats/Rcpi: Molecular Informatics Toolkit for Compound-Protein Interaction in Drug Discovery

Parallellized Protein Sequence Similarity Calculation based on Sequence Alignment

Description

Parallellized Protein Sequence Similarity Calculation based on Sequence Alignment

Usage

calcParProtSeqSim(protlist, cores = 2, type = "local", submat = "BLOSUM62")

Arguments

protlist	A length n list containing n protein sequences, each component of the list is a character string, storing one protein sequence. Unknown sequences should be represented as ''.
cores	Integer. The number of CPU cores to use for parallel execution, default is 2. Users could use the detectCores() function in the parallel package to see how many cores they could use.
type	Type of alignment, default is 'local', could be 'global' or 'local', where 'global' represents Needleman-Wunsch global alignment; 'local' represents Smith-Waterman local alignment.
submat	Substitution matrix, default is 'BLOSUM62', could be one of 'BLOSUM45', 'BLOSUM50', 'BLOSUM62', 'BLOSUM80', 'BLOSUM100', 'PAM30', 'PAM40', 'PAM70', 'PAM120', 'PAM250'.

Details

This function implemented the parallellized version for calculating protein sequence similarity based on sequence alignment.

Value

A n x n similarity matrix.

See Also

See calcTwoProtSeqSim for protein sequence alignment for two protein sequences. See calcParProtGOSim for protein similarity calculation based on Gene Ontology (GO) semantic similarity.

Examples

s1 = readFASTA(system.file('protseq/P00750.fasta', package = 'Rcpi'))[[1]]
s2 = readFASTA(system.file('protseq/P08218.fasta', package = 'Rcpi'))[[1]]
s3 = readFASTA(system.file('protseq/P10323.fasta', package = 'Rcpi'))[[1]]
s4 = readFASTA(system.file('protseq/P20160.fasta', package = 'Rcpi'))[[1]]
s5 = readFASTA(system.file('protseq/Q9NZP8.fasta', package = 'Rcpi'))[[1]]
plist = list(s1, s2, s3, s4, s5)

psimmat = calcParProtSeqSim(plist, cores = 2, type = 'local',
                            submat = 'BLOSUM62')
print(psimmat)

nanxstats/Rcpi documentation built on Sept. 24, 2024, 9:36 a.m.