Repository 'kinatest_fisher_test'
hg clone https://toolshed.g2.bx.psu.edu/repos/jfb/kinatest_fisher_test

Changeset 0:6f7fd13c1a05 (2019-01-14)
Next changeset 1:ae988a95b761 (2019-01-14)
Commit message:
Uploaded
added:
KT-ID fisher test/7-7-fisher-galaxy_working.R
KT-ID fisher test/OnlyTheRequiredSubBackFreqData.RData
KT-ID fisher test/kinatestid_r_fisher.xml
KT-ID fisher test/screener7-7.csv
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diff -r 000000000000 -r 6f7fd13c1a05 KT-ID fisher test/7-7-fisher-galaxy_working.R
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/KT-ID fisher test/7-7-fisher-galaxy_working.R Mon Jan 14 11:12:59 2019 -0500
[
b'@@ -0,0 +1,924 @@\n+oldw <- getOption("warn")\r\n+options(warn = -1)\r\n+\r\n+PositiveSubstrateList<- read.csv("substrates.csv", stringsAsFactors=FALSE)\r\n+NegativeSubstrateList<- read.csv("negatives.csv", stringsAsFactors=FALSE)\r\n+SubstrateBackgroundFrequency<- read.csv("SBF.csv", stringsAsFactors=FALSE)\r\n+\r\n+ScreenerFilename<-"screener"\r\n+screaner<-read.csv(ScreenerFilename, header = FALSE, stringsAsFactors = FALSE)\r\n+\r\n+DataFilename<-"thedata.RData"\r\n+load(DataFilename)\r\n+\r\n+\r\n+SDtableAndPercentTable<-"output1.csv"\r\n+NormalizationScore_CharacterizationTable<-"output2.csv"\r\n+SequenceScoringAndScreening<-"output3.csv"\r\n+\r\n+\r\n+\r\n+\r\n+\r\n+SiteSelectivityTable_EndogenousProbabilityMatrix_NormalizationScore_CharacterizationTable<-NormalizationScore_CharacterizationTable\r\n+FILENAME2<-NormalizationScore_CharacterizationTable\r\n+FILENAME3<-SequenceScoringAndScreening\r\n+substrates<-matrix(rep("A",times=((nrow(PositiveSubstrateList)-1)*15)),ncol = 15)\r\n+\r\n+for (i in 2:nrow(PositiveSubstrateList))\r\n+{\r\n+  substratemotif<-PositiveSubstrateList[i,4:18]\r\n+  substratemotif[8]<-"Y"\r\n+  #substratemotif<-paste(substratemotif,sep = "",collapse = "")\r\n+  j=i-1\r\n+  substratemotif<-unlist(substratemotif)\r\n+  substrates[j,1:15]<-substratemotif\r\n+}\r\n+\r\n+substrates2<-substrates\r\n+substrates2[substrates2==""]<-"O"\r\n+\r\n+#I will make it so that all blank values in substrates get a O after I\'m done with it\r\n+\r\n+# SpacesToOs<-c(""="O",)\r\n+# substrates<-SpacesToOs[substrates]\r\n+\r\n+\r\n+\r\n+#create the percent table\r\n+if (1==1){\r\n+Column1<-substrates[,1]\r\n+Column2<-substrates[,2]\r\n+Column3<-substrates[,3]\r\n+Column4<-substrates[,4]\r\n+Column5<-substrates[,5]\r\n+Column6<-substrates[,6]\r\n+Column7<-substrates[,7]\r\n+Column8<-substrates[,8]\r\n+Column9<-substrates[,9]\r\n+Column10<-substrates[,10]\r\n+Column11<-substrates[,11]\r\n+Column12<-substrates[,12]\r\n+Column13<-substrates[,13]\r\n+Column14<-substrates[,14]\r\n+Column15<-substrates[,15]\r\n+\r\n+spaces1<-sum(Column1%in% "")\r\n+spaces2<-sum(Column2%in% "")\r\n+spaces3<-sum(Column3%in% "")\r\n+spaces4<-sum(Column4%in% "")\r\n+spaces5<-sum(Column5%in% "")\r\n+spaces6<-sum(Column6%in% "")\r\n+spaces7<-sum(Column7%in% "")\r\n+spaces8<-sum(Column8%in% "")\r\n+spaces9<-sum(Column9%in% "")\r\n+spaces10<-sum(Column10%in% "")\r\n+spaces11<-sum(Column11%in% "")\r\n+spaces12<-sum(Column12%in% "")\r\n+spaces13<-sum(Column13%in% "")\r\n+spaces14<-sum(Column14%in% "")\r\n+spaces15<-sum(Column15%in% "")\r\n+OllOs<-cbind(spaces1,spaces2,spaces3,spaces4,spaces5,spaces6,spaces7,spaces8,spaces9,spaces10,spaces11,\r\n+             spaces12,spaces13,spaces14,spaces15)\r\n+\r\n+A1<-sum(Column1 %in% "A")\r\n+A2<-sum(Column2 %in% "A")\r\n+A3<-sum(Column3 %in% "A")\r\n+A4<-sum(Column4 %in% "A")\r\n+A5<-sum(Column5 %in% "A")\r\n+A6<-sum(Column6 %in% "A")\r\n+A7<-sum(Column7 %in% "A")\r\n+A8<-sum(Column8 %in% "A")\r\n+A9<-sum(Column9 %in% "A")\r\n+A10<-sum(Column10 %in% "A")\r\n+A11<-sum(Column11 %in% "A")\r\n+A12<-sum(Column12 %in% "A")\r\n+A13<-sum(Column13 %in% "A")\r\n+A14<-sum(Column14 %in% "A")\r\n+A15<-sum(Column15 %in% "A")\r\n+AllAs<-cbind(A1,A2,A3,A4,A5,A6,A7,A8,A9,A10,A11,A12,A13,A14,A15)\r\n+\r\n+C1<-sum(Column1 %in% "C")\r\n+C2<-sum(Column2 %in% "C")\r\n+C3<-sum(Column3 %in% "C")\r\n+C4<-sum(Column4 %in% "C")\r\n+C5<-sum(Column5 %in% "C")\r\n+C6<-sum(Column6 %in% "C")\r\n+C7<-sum(Column7 %in% "C")\r\n+C8<-sum(Column8 %in% "C")\r\n+C9<-sum(Column9 %in% "C")\r\n+C10<-sum(Column10 %in% "C")\r\n+C11<-sum(Column11 %in% "C")\r\n+C12<-sum(Column12 %in% "C")\r\n+C13<-sum(Column13 %in% "C")\r\n+C14<-sum(Column14 %in% "C")\r\n+C15<-sum(Column15 %in% "C")\r\n+CllCs<-cbind(C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,C12,C13,C14,C15)\r\n+\r\n+D1<-sum(Column1 %in% "D")\r\n+D2<-sum(Column2 %in% "D")\r\n+D3<-sum(Column3 %in% "D")\r\n+D4<-sum(Column4 %in% "D")\r\n+D5<-sum(Column5 %in% "D")\r\n+D6<-sum(Column6 %in% "D")\r\n+D7<-sum(Column7 %in% "D")\r\n+D8<-sum(Column8 %in% "D")\r\n+D9<-sum(Column9 %in% "D")\r\n+D10<-sum(Column10 %in% "D")\r\n+D11<-sum(Column11 %in% "D")\r\n+D12<-sum(Column12 %in% "D")\r\n+D13<-sum(Column13 %in% "D")\r\n+D14<-sum(Column14 %in% "D")\r\n+D15<-sum(Column15 %in% "D")\r\n+DllDs<-'..b'SigmaAAs[i]<-ExpectedValue*(length(substrates[,i])-sum(substrates[,i]%in% ""))/100\r\n+# }\r\n+# \r\n+# SelectivityRow<-SumOfSigmaAAs/SumOfExpectedSigmaAAs\r\n+# SuperRow<-SelectivityRow\r\n+\r\n+\r\n+#90% whatevernness\r\n+# TPninetyone<-length(PositiveWeirdScores[PositiveWeirdScores>=0.91])\r\n+# Senseninetyone<-TPninetyone/nrow(positivesubstrates)\r\n+# \r\n+# TNninetyone<-length(NegativeWeirdScores[NegativeWeirdScores<91])\r\n+# Specninetyone<-TNninetyone/100\r\n+\r\n+#create the MCC table\r\n+\r\n+threshold<-c(1:100,(1:9)/10,(1:9)/100,0,-.1)\r\n+threshold<-threshold[order(threshold,decreasing = TRUE)]\r\n+threshold\r\n+\r\n+Truepositives<-c(1:120)\r\n+Falsenegatives<-c(1:120)\r\n+Sensitivity<-c(1:120)\r\n+TrueNegatives<-c(1:120)\r\n+FalsePositives<-c(1:120)\r\n+One_Minus_Specificity<-c(1:120)\r\n+Accuracy<-c(1:120)\r\n+MCC<-c(1:120)\r\n+EER<-c(1:120)\r\n+Precision<-c(1:120)\r\n+F_One_Half<-c(1:120)\r\n+F_One<-c(1:120)\r\n+F_Two<-c(1:120)\r\n+FalsePositiveRate<-c(1:120)\r\n+#MAKE DAMN SURE THAT THE ACCESSION NUMBERS FOLLOW THE MOTIFS\r\n+\r\n+for (z in 1:120) {\r\n+  thres<-threshold[z]\r\n+  Truepositives[z]<-length(PositiveWeirdScores[PositiveWeirdScores>=(thres)])\r\n+  Falsenegatives[z]<-nrow(positivesubstrates)-Truepositives[z]\r\n+  Sensitivity[z]<-Truepositives[z]/(Falsenegatives[z]+Truepositives[z])\r\n+  TrueNegatives[z]<-length(NegativeWeirdScores[NegativeWeirdScores<(thres)])\r\n+  # at thresh 100 this should be 0, because it is total minus true negatives\r\n+  FalsePositives[z]<-nrow(NegativeSubstrateList)-TrueNegatives[z]\r\n+  One_Minus_Specificity[z]<-1-(TrueNegatives[z]/(FalsePositives[z]+TrueNegatives[z]))\r\n+  Accuracy[z]<-100*(Truepositives[z]+TrueNegatives[z])/(Falsenegatives[z]+FalsePositives[z]+TrueNegatives[z]+Truepositives[z])\r\n+  MCC[z]<-((Truepositives[z]*TrueNegatives[z])-(Falsenegatives[z]*FalsePositives[z]))/sqrt(round(round(Truepositives[z]+Falsenegatives[z])*round(TrueNegatives[z]+FalsePositives[z])*round(Truepositives[z]+FalsePositives[z])*round(TrueNegatives[z]+Falsenegatives[z])))\r\n+  #EER[z]<-.01*(((1-(Sensitivity[z]))*(Truepositives[z]+Falsenegatives[z]))+(Specificity[z]*(1-(Truepositives[z]+Falsenegatives[z]))))\r\n+  EER[z]<-(FalsePositives[z]+Falsenegatives[z])/(Truepositives[z]+TrueNegatives[z]+FalsePositives[z]+Falsenegatives[z])\r\n+  Precision[z]<-Truepositives[z]/(Truepositives[z]+FalsePositives[z])\r\n+  F_One_Half[z]<-(1.5*Precision[z]*Sensitivity[z])/(.25*Precision[z]+Sensitivity[z])\r\n+  F_One[z]<-(2*Precision[z]*Sensitivity[z])/(Precision[z]+Sensitivity[z])\r\n+  F_Two[z]<-(5*Precision[z]*Sensitivity[z])/(4*Precision[z]+Sensitivity[z])\r\n+  FalsePositiveRate[z]<-FalsePositives[z]/(TrueNegatives[z]+FalsePositives[z])\r\n+}\r\n+Characterization<-cbind.data.frame(threshold,Truepositives,Falsenegatives,Sensitivity,TrueNegatives,FalsePositives,One_Minus_Specificity,Accuracy,MCC,EER,Precision,FalsePositiveRate,F_One_Half,F_One,F_Two)\r\n+\r\n+positiveheader<-c(1,2,3,4,5,6,7,8,9,10,11,12,13,"RPMS","PMS")\r\n+positivewithscores<-rbind.data.frame(positiveheader,positivewithscores)\r\n+\r\n+negativeheader<-c("Substrate","RPMS","PMS")\r\n+colnames(NegativeWithScores)<-negativeheader\r\n+\r\n+# write.xlsx(NegativeWithScores,file = FILENAME, sheetName = "Negative Sequences Scored",col.names = TRUE,row.names = FALSE,append = TRUE)\r\n+# write.xlsx(Characterization,file = FILENAME,sheetName = "Characterization Table",col.names = TRUE,row.names = FALSE,append = TRUE)\r\n+# write.xlsx(RanksPeptides,file = FILENAME,sheetName = "Ranked Generated Peptides",col.names = FALSE,row.names = FALSE,append = TRUE)\r\n+# write.xlsx(positivewithscores,file = FILENAME, sheetName = "Positive Sequences Scored",col.names = FALSE,row.names = FALSE,append = TRUE)\r\n+write.table(x=c("Characterzation Table"),file = FILENAME2, col.names = FALSE,row.names = FALSE, append = TRUE,sep = ",")\r\n+write.table(Characterization,file = FILENAME2, col.names = TRUE,row.names = FALSE, append = TRUE,sep = ",")\r\n+\r\n+\r\n+#write.table(RanksPeptides,file = FILENAME3,append = TRUE,row.names = FALSE,col.names = TRUE,sep = ",")\r\n+\r\n+\r\n+options(warn = oldw)\r\n'
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diff -r 000000000000 -r 6f7fd13c1a05 KT-ID fisher test/OnlyTheRequiredSubBackFreqData.RData
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Binary file KT-ID fisher test/OnlyTheRequiredSubBackFreqData.RData has changed
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diff -r 000000000000 -r 6f7fd13c1a05 KT-ID fisher test/kinatestid_r_fisher.xml
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/KT-ID fisher test/kinatestid_r_fisher.xml Mon Jan 14 11:12:59 2019 -0500
[
@@ -0,0 +1,47 @@
+<tool id="kinatestid_fisher_r" name="Kinatest-ID using Fisher's Exact Test" version="0.5.0">
+    <description>determine kinase's preferred sequence motif</description>
+    <requirements>
+       <requirement type="package">R</requirement>
+    </requirements>
+    <command><![CDATA[
+        ln -s '$substrates' substrates.csv && 
+        ln -s '$negatives' negatives.csv && 
+        ln -s '$SBF' SBF.csv &&
+        ln -s '$__tool_directory__/screener7-7.csv' screener &&
+        ln -s '$__tool_directory__/OnlyTheRequiredSubBackFreqData.RData' thedata.RData &&
+        Rscript '$__tool_directory__/7-7-fisher-galaxy_working.R'
+    ]]></command>
+    <inputs>
+        <param format="csv" name="substrates" type="data" label="Positive/Phosphorylated Substrate List"/>
+        <param format="csv" name="negatives" type="data" label="Negative/unPhosphorylated Substrate List"/>
+        <param format="csv" name="SBF" type="data" label="Substrate Background Frequency List"/>
+ <param name="outGroup" type="text" value="kinase" label="Kinase Name"/>
+    </inputs>      
+    <outputs>
+        <data format="csv" name="odds_table" from_work_dir="output1.csv" label="${outGroup}_Fisher Odds Table"/>
+        <data format="csv" name="char_table" from_work_dir="output2.csv" label="${outGroup}_Characterization Table"/>
+    </outputs>
+    <tests>
+        <test>
+            <param name="substrates" ftype="csv" value="substrates.csv"/>
+            <param name="negatives" ftype="csv" value="negatives.csv"/>
+            <param name="SBF" ftype="csv" value="SBF.csv"/>
+            <output name="SDtable" file="SDtable.csv"/>
+            <output name="EPM" file="EPM.csv"/>
+            <output name="Characterization" file="Characterization.csv"/>
+        </test>
+    </tests>
+
+    
+    <help><![CDATA[
+
+
+This tool is intended for use in conjunction with a Kinamine tool and a Negative Motif Finder tool.  Using the outputs from those two functions (The Positive and Negative substrates as well as the Substrate Background Frequency) this tool calculates the kinases preferred substrate motif.
+
+
+    ]]></help>
+    <citations>
+        <citation type="doi">10.1074/mcp.RA118.001111</citation>
+    </citations>
+</tool>
+
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diff -r 000000000000 -r 6f7fd13c1a05 KT-ID fisher test/screener7-7.csv
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/KT-ID fisher test/screener7-7.csv Mon Jan 14 11:12:59 2019 -0500
b
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