annotate all stuff/Difference finder for GalaxyP 2-21-20.R @ 10:78f16bc92ba6 draft

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#ff you want ONLY FULL MOTIFS, put "YES" here, please use all caps
FullMotifsOnly_questionmark<-"NO"
#If you want ONLY TRUNCATED MOTIFS, put "YES" here, please use all caps
TruncatedMotifsOnly_questionmark<-"NO"
#if you want to find the overlap, put a "YES" here (all caps), if you want to find the non-overlap, put "NO" (all caps)
Are_You_Looking_For_Commonality<-"NO"


#put the names of your input files here
FirstSubstrateSet<- read.csv("S1.csv", stringsAsFactors=FALSE,colClasses = "character")
Firstsubbackfreq<- read.csv("SBF1.csv", header=FALSE, stringsAsFactors=FALSE)

SecondSubstrateSet<- read.csv("S2.csv", stringsAsFactors=FALSE,colClasses = "character")
Secondsubbackfreq<- read.csv("SBF2.csv", header=FALSE, stringsAsFactors=FALSE)


First_unshared_motifs_table<-"1RS.csv"
First_unshared_subbackfreq<-"1RSBF.csv"

Second_unshared_motifs_table<-"2RS.csv"
Second_unshared_subbackfreq<-"2RSBF.csv"

EmptySubHeader<-colnames(FirstSubstrateSet)
EmptySubHeader<-matrix(EmptySubHeader, nrow=1)
EmptySBFHeader<-Firstsubbackfreq[,1]

#final note, this code is going to be unworkable if you want to make a Venn diagram of more than 3 circles.  I think I'll poke around
#other languages to see if any of them can do it.
####################################################################################################################################


FirstCentralLetters<-FirstSubstrateSet[,11]
SecondCentralLetters<-SecondSubstrateSet[,11]

FirstEsses<-sapply(FirstCentralLetters, grepl, pattern="S", ignore.case=TRUE)
FirstTees<-sapply(FirstCentralLetters, grepl, pattern="T", ignore.case=TRUE)
FirstWys<-sapply(FirstCentralLetters, grepl, pattern="Y", ignore.case=TRUE)

SecondEsses<-sapply(SecondCentralLetters, grepl, pattern="S", ignore.case=TRUE)
SecondTees<-sapply(SecondCentralLetters, grepl, pattern="T", ignore.case=TRUE)
SecondWys<-sapply(SecondCentralLetters, grepl, pattern="Y", ignore.case=TRUE)

FirstCentralLetters<-replace(FirstCentralLetters,FirstEsses,"xS")
FirstCentralLetters<-replace(FirstCentralLetters,FirstTees,"xT")
FirstCentralLetters<-replace(FirstCentralLetters,FirstWys,"xY")

SecondCentralLetters<-replace(SecondCentralLetters,SecondEsses,"xS")
SecondCentralLetters<-replace(SecondCentralLetters,SecondTees,"xT")
SecondCentralLetters<-replace(SecondCentralLetters,SecondWys,"xY")

FirstCentralLetters->FirstSubstrateSet[,11]
SecondCentralLetters->SecondSubstrateSet[,11]

####################################################################################################################################
####################################################################################################################################
# better version of this code written in C: what happens when two kinases share a motif, but they found that motif in two 
# separate proteins thus two separate accession numbers?
# It should actually output the shared motif and BOTH accession numbers.  Right now it does not, it only maps out the second
# accession number.  So that needs to be fixed BUT you need to keep the commonality between a motif and its accession number
####################################################################################################################################
####################################################################################################################################
####################################################################################################################################
####################################################################################################################################

#Create the motif sets, deciding wether or not you're looking for truncated or full here
#full only


###############################################
#ALL motifs, full and truncated

if (FullMotifsOnly_questionmark!="YES"&&TruncatedMotifsOnly_questionmark!="YES"){
  FTLwtmotifs=matrix(,nrow = nrow(FirstSubstrateSet),ncol=1)
  FTLwtAccessionNumbers=matrix(,nrow = nrow(FirstSubstrateSet),ncol=1)
  
  for (i in 1:nrow(FirstSubstrateSet)){
    FTLwtletters<-FirstSubstrateSet[i,4:18]
    FTLwtletters<-FTLwtletters[FTLwtletters !="XXXXX"]
    FTLwtletters<-paste(FTLwtletters, sep="", collapse="")
    leftspaces<-c()
    rightspaces<-c()
    
    YYYmotif <- unlist(strsplit(FTLwtletters, split = ""))
    YYYposition <- match(x = "x", table = YYYmotif)
    #position itself tells me how much is to the left of that X by what it's number is.  x at position 4 tells me that there are
    #just 3 letters to the left of x
    
    YYYLettersToTheLeft <- YYYposition - 1
    #how many letters to the right SHOULD just be length(motif)-position-1 if it's 5 long and x is at 3 then Y is at 4 and there is
    #just 1 spot to the right of Y so LettersToTheRight<-1 because 5-3-1=1
    YYYLettersToTheRight <- length(YYYmotif) - YYYposition - 1
    #then sanity check, we're currently looking only at +/-4, but this spot allows for up to +/- 7 as well, just depends on what the
    #variable the user puts in is
    
    
    if (YYYLettersToTheLeft < 7 | YYYLettersToTheRight < 7) {
      leftspaces<-rep(" ",times=(7-YYYLettersToTheLeft))
      rightspaces<-rep(" ",times=7-(YYYLettersToTheRight))
      #add blank spaces if the motif has less than 4 letters to the left/right
      motif<-c(leftspaces,YYYmotif,rightspaces)
      #save that motif, which is the Y and +/- 4 amino acids, including truncation
      motif<-motif[!motif %in% "x"]
      motif<-paste(motif, sep="", collapse="")
      FTLwtletters<-motif
      FTLwtmotifs[i,1]<-FTLwtletters
      FTLwtAccessionNumbers[i,1]<-FirstSubstrateSet[i,3]
    }
    
    if(YYYLettersToTheLeft>6 && YYYLettersToTheRight>6){
      motif<-YYYmotif
      #add blank spaces if the motif has less than 4 letters to the left/right
      motif<-c(leftspaces,YYYmotif,rightspaces)
      #save that motif, which is the Y and +/- 4 amino acids, including truncation
      motif<-motif[!motif %in% "x"]
      motif<-paste(motif, sep="", collapse="")
      FTLwtletters<-motif
      FTLwtmotifs[i,1]<-FTLwtletters
      FTLwtAccessionNumbers[i,1]<-FirstSubstrateSet[i,3]
      
      
    }
    
  }
  
  D835Ymotifs=matrix(,nrow = nrow(SecondSubstrateSet),ncol=1)
  D835YAccessionNumbers<-matrix(,nrow = nrow(SecondSubstrateSet),ncol = 1)
  
  for (i in 1:nrow(SecondSubstrateSet)){
    D835letters<-SecondSubstrateSet[i,4:18]
    D835letters<-D835letters[D835letters !="XXXXX"]
    D835letters<-paste(D835letters, sep="", collapse="")
    leftspaces<-c()
    rightspaces<-c()
    
    YYYmotif <- unlist(strsplit(D835letters, split = ""))
    YYYposition <- match(x = "x", table = YYYmotif)
    #position itself tells me how much is to the left of that X by what it's number is.  x at position 4 tells me that there are
    #just 3 letters to the left of x
    
    YYYLettersToTheLeft <- YYYposition - 1
    #how many letters to the right SHOULD just be length(motif)-position-1 if it's 5 long and x is at 3 then Y is at 4 and there is
    #just 1 spot to the right of Y so LettersToTheRight<-1 because 5-3-1=1
    YYYLettersToTheRight <- length(YYYmotif) - YYYposition - 1
    #then sanity check, we're currently looking only at +/-4, but this spot allows for up to +/- 7 as well, just depends on what the
    #variable the user puts in is
    if (YYYLettersToTheLeft < 7 | YYYLettersToTheRight < 7) {
      leftspaces<-rep(" ",times=(7-YYYLettersToTheLeft))
      rightspaces<-rep(" ",times=7-(YYYLettersToTheRight))
      #add blank spaces if the motif has less than 4 letters to the left/right
      motif<-c(leftspaces,YYYmotif,rightspaces)
      #save that motif, which is the Y and +/- 4 amino acids, including truncation
      motif<-motif[!motif %in% "x"]
      motif<-paste(motif, sep="", collapse="")
      D835letters<-motif
      D835Ymotifs[i,1]<-D835letters
      D835YAccessionNumbers[i,1]<-SecondSubstrateSet[i,3]
    }
    
    if(YYYLettersToTheLeft>6 && YYYLettersToTheRight>6){
      motif<-YYYmotif
      #add blank spaces if the motif has less than 4 letters to the left/right
      motif<-c(leftspaces,YYYmotif,rightspaces)
      #save that motif, which is the Y and +/- 4 amino acids, including truncation
      motif<-motif[!motif %in% "x"]
      motif<-paste(motif, sep="", collapse="")
      D835letters<-motif
      D835Ymotifs[i,1]<-D835letters
      D835YAccessionNumbers[i,1]<-SecondSubstrateSet[i,3]
    }
  }
  
  names(FTLwtmotifs)<-FTLwtAccessionNumbers
  names(D835Ymotifs)<-D835YAccessionNumbers
  
}


FTLwtmotifsFINAL<-FTLwtmotifs[!FTLwtmotifs %in% D835Ymotifs]
FTLwtmotifsFINAL<-FTLwtmotifsFINAL[!duplicated(FTLwtmotifsFINAL)]

D835YmotifsFINAL<-D835Ymotifs[!D835Ymotifs %in% FTLwtmotifs]
D835YmotifsFINAL<-D835YmotifsFINAL[!duplicated(D835YmotifsFINAL)]


columnalheader<-c(rep(NA,36))
FTLFinalMatrix<-matrix(data =columnalheader,nrow = 1)

FLTheader<-c("Substrate","Species","Reference","-7","-6","-5","-4","-3","-2","-1","0","1","2","3","4","5","6","7","Phosphite")

if (length(FTLwtmotifsFINAL)>0){
  for (k in 1:length(FTLwtmotifsFINAL)) {
    AN<-00000
    #I don't remember why, but I felt it necessary to destroy the accession number multiple times to ensure it is
    #destroyed immediately after use
    for (m in 1:ncol(Firstsubbackfreq)) {
      AN <- as.character(Firstsubbackfreq[1, m])
      if (grepl(pattern = AN,
                x = names(FTLwtmotifsFINAL[k]),
                fixed = TRUE) == TRUE) {
        outputmatrix <- as.character(Firstsubbackfreq[, m])
        outputmatrix <- matrix(outputmatrix, nrow = 1)
        #with that accession number, find a match in the subbackfreq file and save it here
        FTLFinalMatrix<-rbind(FTLFinalMatrix,outputmatrix)
      }
    }
  }
  FTLFinalMatrix<-FTLFinalMatrix[!duplicated(FTLFinalMatrix),]
  FTLFinalMatrix<-FTLFinalMatrix[2:nrow(FTLFinalMatrix),]
  
  
  FTLoutputmatrix<-matrix(data=c(FTLwtmotifsFINAL,names(FTLwtmotifsFINAL)),ncol = 2)
  # FLTheader<-unlist(FLTheader)
  lefthandFLT<-matrix(data = rep(NA,times=2*nrow(FTLoutputmatrix)),nrow=nrow(FTLoutputmatrix))
  righthandFLT<-matrix(data = rep(NA,times=1*nrow(FTLoutputmatrix)),nrow=nrow(FTLoutputmatrix))
  FLTaccessionset<-FTLoutputmatrix[,2]
  FTLmeat<-sapply(FTLoutputmatrix[,1], strsplit, "")
  FTLmeat<-sapply(FTLmeat, unlist)
  colnames(FTLmeat)<-NULL
  FTLmeat<-t(FTLmeat)
  
  FTLoutputmatrix2<-cbind(lefthandFLT,FLTaccessionset,FTLmeat,righthandFLT)
  colnames(FTLoutputmatrix2)<-NULL
  rownames(FTLoutputmatrix2)<-NULL
  colnames(FLTheader)<-NULL
  rownames(FLTheader)<-NULL
  
  
  FirstCentralLettersAGAIN<-FTLoutputmatrix2[,11]
  
  FirstEsses<-sapply(FirstCentralLettersAGAIN, grepl, pattern="S", ignore.case=TRUE)
  FirstTees<-sapply(FirstCentralLettersAGAIN, grepl, pattern="T", ignore.case=TRUE)
  FirstWys<-sapply(FirstCentralLettersAGAIN, grepl, pattern="Y", ignore.case=TRUE)
  
  FirstCentralLettersAGAIN<-replace(FirstCentralLettersAGAIN,FirstEsses,"xS")
  FirstCentralLettersAGAIN<-replace(FirstCentralLettersAGAIN,FirstTees,"xT")
  FirstCentralLettersAGAIN<-replace(FirstCentralLettersAGAIN,FirstWys,"xY")
  
  FirstCentralLettersAGAIN->FTLoutputmatrix2[,11]
  
  FTLoutputmatrix2<-rbind(FLTheader,FTLoutputmatrix2)
  
  write.table(x=FTLoutputmatrix2,
              file=First_unshared_motifs_table,
              quote=FALSE, sep=",",
              row.names=FALSE,col.names = FALSE, na="", append=TRUE)
  
  columnalheader<-c(as.character(Firstsubbackfreq[1:36,1]))
  columnalheader<-matrix(columnalheader,nrow = 1)
  write.table(x=columnalheader,
              file=First_unshared_subbackfreq,
              quote=FALSE, sep=",",
              row.names=FALSE,col.names = FALSE, na="", append=TRUE)
  
  write.table(x=FTLFinalMatrix,
              file=First_unshared_subbackfreq,
              quote=FALSE, sep=",",
              row.names=FALSE,col.names = FALSE, na="", append=TRUE)
} else{
  FTLFinalMatrix<-columnalheader
  write.table(x=EmptySubHeader,
              file=First_unshared_motifs_table,
              quote=FALSE, sep=",",
              row.names=FALSE,col.names = FALSE, na="", append=TRUE)
  
  columnalheader<-c(as.character(Firstsubbackfreq[1:36,1]))
  columnalheader<-matrix(columnalheader,nrow = 1)
  write.table(x=columnalheader,
              file=First_unshared_subbackfreq,
              quote=FALSE, sep=",",
              row.names=FALSE,col.names = FALSE, na="", append=TRUE)
}


columnalheader<-c(rep(NA,36))
D835YFinalMatrix<-matrix(data =columnalheader,nrow = 1)

if (length(D835YmotifsFINAL)>0){
  for (k in 1:length(D835YmotifsFINAL)) {
    #I don't remember why, but I felt it necessary to destroy the accession number multiple times to ensure it is
    #destroyed immediately after use
    for (m in 1:ncol(Secondsubbackfreq)) {
      AN <- as.character(Secondsubbackfreq[1, m])
      if (grepl(pattern = AN,
                x = names(D835YmotifsFINAL[k]),
                fixed = TRUE) == TRUE) {
        outputmatrix <- as.character(Secondsubbackfreq[, m])
        outputmatrix <- matrix(outputmatrix, nrow = 1)
        #with that accession number, find a match in the subbackfreq file and save it here
        D835YFinalMatrix<-rbind(D835YFinalMatrix,outputmatrix)
      }
    }
  }
  D835YFinalMatrix<-D835YFinalMatrix[!duplicated(D835YFinalMatrix),]
  D835YFinalMatrix<-D835YFinalMatrix[2:nrow(D835YFinalMatrix),]
  
  D835Youtputmatrix<-matrix(data=c(D835YmotifsFINAL,names(D835YmotifsFINAL)),ncol = 2)
  
  D835Yheader<-c("Substrate","Species","Reference","-7","-6","-5","-4","-3","-2","-1","0","1","2","3","4","5","6","7","Phosphite")
  # D835Yheader<-unlist(D835Yheader)
  lefthandD835<-matrix(data = rep(NA,times=2*nrow(D835Youtputmatrix)),nrow=nrow(D835Youtputmatrix))
  righthandD835<-matrix(data = rep(NA,times=1*nrow(D835Youtputmatrix)),nrow=nrow(D835Youtputmatrix))
  D835Yaset<-D835Youtputmatrix[,2]
  D835meat<-sapply(D835Youtputmatrix[,1], strsplit, "")
  D835meat<-sapply(D835meat, unlist)
  colnames(D835meat)<-NULL
  D835meat<-t(D835meat)
  
  D835Youtputmatrix2<-cbind(lefthandD835,D835Yaset,D835meat,righthandD835)
  colnames(D835Youtputmatrix2)<-NULL
  rownames(D835Youtputmatrix2)<-NULL
  colnames(D835Yheader)<-NULL
  rownames(D835Yheader)<-NULL
  
  
  SecondCentralLettersAGAIN<-D835Youtputmatrix2[,11]
  
  SecondEsses<-sapply(SecondCentralLettersAGAIN, grepl, pattern="S", ignore.case=TRUE)
  SecondTees<-sapply(SecondCentralLettersAGAIN, grepl, pattern="T", ignore.case=TRUE)
  SecondWys<-sapply(SecondCentralLettersAGAIN, grepl, pattern="Y", ignore.case=TRUE)
  
  SecondCentralLettersAGAIN<-replace(SecondCentralLettersAGAIN,SecondEsses,"xS")
  SecondCentralLettersAGAIN<-replace(SecondCentralLettersAGAIN,SecondTees,"xT")
  SecondCentralLettersAGAIN<-replace(SecondCentralLettersAGAIN,SecondWys,"xY")
  
  SecondCentralLettersAGAIN->D835Youtputmatrix2[,11]
  
  D835Youtputmatrix2<-rbind(D835Yheader,D835Youtputmatrix2)
  
  write.table(x=D835Youtputmatrix2,
              file=Second_unshared_motifs_table,
              quote=FALSE, sep=",",
              row.names=FALSE,col.names = FALSE, na="", append=TRUE)
  
  columnalheader<-c(as.character(Firstsubbackfreq[1:36,1]))
  columnalheader<-matrix(columnalheader,nrow = 1)
  write.table(x=columnalheader,
              file=Second_unshared_subbackfreq,
              quote=FALSE, sep=",",
              row.names=FALSE,col.names = FALSE, na="", append=TRUE)
  
  write.table(x=D835YFinalMatrix,
              file=Second_unshared_subbackfreq,
              quote=FALSE, sep=",",
              row.names=FALSE,col.names = FALSE, na="", append=TRUE)
} else {
  D835YFinalMatrix<- columnalheader
  write.table(x=EmptySubHeader,
              file=Second_unshared_motifs_table,
              quote=FALSE, sep=",",
              row.names=FALSE,col.names = FALSE, na="", append=TRUE)
  
  columnalheader<-c(as.character(Firstsubbackfreq[1:36,1]))
  columnalheader<-matrix(columnalheader,nrow = 1)
  write.table(x=columnalheader,
              file=Second_unshared_subbackfreq,
              quote=FALSE, sep=",",
              row.names=FALSE,col.names = FALSE, na="", append=TRUE)
}