changeset 50:8ba6afa1247a draft

Uploaded
author davidvanzessen
date Thu, 28 Jan 2016 09:21:25 -0500
parents 5c6b9e99d576
children d4e72eeea640
files imgt_loader.py imgt_loader.r wrapper.sh
diffstat 3 files changed, 82 insertions(+), 142 deletions(-) [+]
line wrap: on
line diff
--- a/imgt_loader.py	Wed Nov 18 05:55:04 2015 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,141 +0,0 @@
-import pandas as pd
-try:
-	pd.options.mode.chained_assignment = None  # default='warn'
-except:
-	pass
-import re
-import argparse
-import os
-
-def stop_err( msg, ret=1 ):
-    sys.stderr.write( msg )
-    sys.exit( ret )
-
-#docs.python.org/dev/library/argparse.html
-parser = argparse.ArgumentParser()
-parser.add_argument("--summ", help="The 1_Summary file from the imgt output")
-parser.add_argument("--aa", help="The 5_AA-Sequence file from the imgt output")
-parser.add_argument("--junction", help="The 6_Junction file from the imgt output")
-parser.add_argument("--output", help="Output file")
-
-args = parser.parse_args()
-
-old_summary_columns = [u'Sequence ID', u'JUNCTION frame', u'V-GENE and allele', u'D-GENE and allele', u'J-GENE and allele', u'CDR1-IMGT length', u'CDR2-IMGT length', u'CDR3-IMGT length', u'Orientation']
-old_sequence_columns = [u'CDR1-IMGT', u'CDR2-IMGT', u'CDR3-IMGT']
-old_junction_columns = [u'JUNCTION']
-
-added_summary_columns = [u'Functionality', u'V-REGION identity %', u'V-REGION identity nt', u'D-REGION reading frame', u'AA JUNCTION', u'Functionality comment', u'Sequence']
-added_sequence_columns = [u'FR1-IMGT', u'FR2-IMGT', u'FR3-IMGT', u'CDR3-IMGT', u'JUNCTION', u'J-REGION', u'FR4-IMGT']
-added_junction_columns = [u"P3'V-nt nb", u'N1-REGION-nt nb', u"P5'D-nt nb", u"P3'D-nt nb", u'N2-REGION-nt nb', u"P5'J-nt nb", u"3'V-REGION trimmed-nt nb", u"5'D-REGION trimmed-nt nb", u"3'D-REGION trimmed-nt nb", u"5'J-REGION trimmed-nt nb"]
-
-outFile = args.output
-
-#fSummary = pd.read_csv(triplets[0][0], sep="\t", low_memory=False)
-fSummary = pd.read_csv(args.summ, sep="\t", dtype=object)
-#fSequence = pd.read_csv(triplets[0][1], sep="\t", low_memory=False)
-fSequence = pd.read_csv(args.aa, sep="\t", dtype=object)
-#fJunction = pd.read_csv(triplets[0][2], sep="\t", low_memory=False)
-fJunction = pd.read_csv(args.junction, sep="\t", dtype=object)
-tmp = fSummary[["Sequence ID", "JUNCTION frame", "V-GENE and allele", "D-GENE and allele", "J-GENE and allele"]]
-
-tmp["CDR1 Seq"] = fSequence["CDR1-IMGT"]
-tmp["CDR1 Length"] = fSummary["CDR1-IMGT length"]
-
-tmp["CDR2 Seq"] = fSequence["CDR2-IMGT"]
-tmp["CDR2 Length"] = fSummary["CDR2-IMGT length"]
-
-tmp["CDR3 Seq"] = fSequence["CDR3-IMGT"]
-tmp["CDR3 Length"] = fSummary["CDR3-IMGT length"]
-
-tmp["CDR3 Seq DNA"] = fJunction["JUNCTION"]
-tmp["CDR3 Length DNA"] = '1'
-tmp["Strand"] = fSummary["Orientation"]
-tmp["CDR3 Found How"] = 'a'
-
-for col in added_summary_columns:
-    tmp[col] = fSummary[col]
-
-for col in added_sequence_columns:
-    tmp[col] = fSequence[col]
-
-for col in added_junction_columns:
-    tmp[col] = fJunction[col]
-
-outFrame = tmp
-
-outFrame.columns = [u'ID', u'VDJ Frame', u'Top V Gene', u'Top D Gene', u'Top J Gene', u'CDR1 Seq', u'CDR1 Length', u'CDR2 Seq', u'CDR2 Length', u'CDR3 Seq', u'CDR3 Length', u'CDR3 Seq DNA', u'CDR3 Length DNA', u'Strand', u'CDR3 Found How', u'Functionality', 'V-REGION identity %', 'V-REGION identity nt', 'D-REGION reading frame', 'AA JUNCTION', 'Functionality comment', 'Sequence', 'FR1-IMGT', 'FR2-IMGT', 'FR3-IMGT', 'CDR3-IMGT', 'JUNCTION', 'J-REGION', 'FR4-IMGT', 'P3V-nt nb', 'N1-REGION-nt nb', 'P5D-nt nb', 'P3D-nt nb', 'N2-REGION-nt nb', 'P5J-nt nb', '3V-REGION trimmed-nt nb', '5D-REGION trimmed-nt nb', '3D-REGION trimmed-nt nb', '5J-REGION trimmed-nt nb']
-
-"""
-IGHV[0-9]-[0-9ab]+-?[0-9]?D?
-TRBV[0-9]{1,2}-?[0-9]?-?[123]?
-IGKV[0-3]D?-[0-9]{1,2}
-IGLV[0-9]-[0-9]{1,2}
-TRAV[0-9]{1,2}(-[1-46])?(/DV[45678])?
-TRGV[234589]
-TRDV[1-3]
-
-IGHD[0-9]-[0-9ab]+
-TRBD[12]
-TRDD[1-3]
-
-IGHJ[1-6]
-TRBJ[12]-[1-7]
-IGKJ[1-5]
-IGLJ[12367]
-TRAJ[0-9]{1,2}
-TRGJP?[12]
-TRDJ[1-4]
-"""
-
-vPattern = [r"(IGHV[0-9]-[0-9ab]+-?[0-9]?D?)",
-						r"(TRBV[0-9]{1,2}-?[0-9]?-?[123]?)",
-						r"(IGKV[0-3]D?-[0-9]{1,2})",
-						r"(IGLV[0-9]-[0-9]{1,2})",
-						r"(TRAV[0-9]{1,2}(-[1-46])?(/DV[45678])?)",
-						r"(TRGV[234589])",
-						r"(TRDV[1-3])"]
-
-dPattern = [r"(IGHD[0-9]-[0-9ab]+)",
-						r"(TRBD[12])",
-						r"(TRDD[1-3])"]
-						
-jPattern = [r"(IGHJ[1-6])",
-						r"(TRBJ[12]-[1-7])",
-						r"(IGKJ[1-5])",
-						r"(IGLJ[12367])",
-						r"(TRAJ[0-9]{1,2})",
-						r"(TRGJP?[12])",
-						r"(TRDJ[1-4])"]
-
-vPattern = re.compile(r"|".join(vPattern))
-
-dPattern = re.compile(r"|".join(dPattern))
-
-jPattern = re.compile(r"|".join(jPattern))
-
-
-def filterGenes(s, pattern):
-    if type(s) is not str:
-        return "NA"
-    res = pattern.search(s)
-    if res:
-        return res.group(0)
-    return "NA"
-
-
-
-outFrame["Top V Gene"] = outFrame["Top V Gene"].apply(lambda x: filterGenes(x, vPattern))
-outFrame["Top D Gene"] = outFrame["Top D Gene"].apply(lambda x: filterGenes(x, dPattern))
-outFrame["Top J Gene"] = outFrame["Top J Gene"].apply(lambda x: filterGenes(x, jPattern))
-
-
-tmp = outFrame["VDJ Frame"]
-tmp = tmp.replace("in-frame", "In-frame")
-tmp = tmp.replace("null", "Out-of-frame")
-tmp = tmp.replace("out-of-frame", "Out-of-frame")
-outFrame["VDJ Frame"] = tmp
-outFrame["CDR3 Length DNA"] = outFrame["CDR3 Seq DNA"].map(str).map(len)
-safeLength = lambda x: len(x) if type(x) == str else 0
-#outFrame = outFrame[(outFrame["CDR3 Seq DNA"].map(safeLength) > 0) & (outFrame["Top V Gene"] != "NA") & (outFrame["Top J Gene"] != "NA")] #filter out weird rows?
-#outFrame = outFrame[(outFrame["CDR3 Seq DNA"].map(safeLength) > 0) & (outFrame["Top V Gene"] != "NA") & (outFrame["Top D Gene"] != "NA") & (outFrame["Top J Gene"] != "NA")] #filter out weird rows?
-outFrame.to_csv(outFile, sep="\t", index=False, index_label="index")
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/imgt_loader.r	Thu Jan 28 09:21:25 2016 -0500
@@ -0,0 +1,80 @@
+args <- commandArgs(trailingOnly = TRUE)
+
+summ.file = args[1]
+aa.file = args[2]
+junction.file = args[3]
+out.file = args[4]
+
+summ = read.table(summ.file, sep="\t", header=T, quote="", fill=T)
+aa = read.table(aa.file, sep="\t", header=T, quote="", fill=T)
+junction = read.table(junction.file, sep="\t", header=T, quote="", fill=T)
+
+old_summary_columns=c('Sequence.ID','JUNCTION.frame','V.GENE.and.allele','D.GENE.and.allele','J.GENE.and.allele','CDR1.IMGT.length','CDR2.IMGT.length','CDR3.IMGT.length','Orientation')
+old_sequence_columns=c('CDR1.IMGT','CDR2.IMGT','CDR3.IMGT')
+old_junction_columns=c('JUNCTION')
+
+added_summary_columns=c('Functionality','V.REGION.identity..','V.REGION.identity.nt','D.REGION.reading.frame','AA.JUNCTION','Functionality.comment','Sequence')
+added_sequence_columns=c('FR1.IMGT','FR2.IMGT','FR3.IMGT','CDR3.IMGT','JUNCTION','J.REGION','FR4.IMGT')
+added_junction_columns=c("P3.V.nt.nb",'N.REGION.nt.nb','N1.REGION.nt.nb',"P5.D.nt.nb","P3.D.nt.nb",'N2.REGION.nt.nb',"P5.J.nt.nb","X3.V.REGION.trimmed.nt.nb","X5.D.REGION.trimmed.nt.nb","X3.D.REGION.trimmed.nt.nb","X5.J.REGION.trimmed.nt.nb","N.REGION","N1.REGION","N2.REGION")
+
+out=summ[,c("Sequence.ID","JUNCTION.frame","V.GENE.and.allele","D.GENE.and.allele","J.GENE.and.allele")]
+
+out[,"CDR1.Seq"] = aa[,"CDR1.IMGT"]
+out[,"CDR1.Length"] = summ[,"CDR1.IMGT.length"]
+
+out[,"CDR2.Seq"] = aa[,"CDR2.IMGT"]
+out[,"CDR2.Length"] = summ[,"CDR2.IMGT.length"]
+
+out[,"CDR3.Seq"] = aa[,"CDR3.IMGT"]
+out[,"CDR3.Length"] = summ[,"CDR3.IMGT.length"]
+
+out[,"CDR3.Seq.DNA"] = junction[,"JUNCTION"]
+out[,"CDR3.Length.DNA"] = nchar(as.character(junction[,"JUNCTION"]))
+out[,"Strand"] = summ[,"Orientation"]
+out[,"CDR3.Found.How"] = "a"
+
+out[,added_summary_columns] = summ[,added_summary_columns]
+
+out[,added_sequence_columns] = aa[,added_sequence_columns]
+
+out[,added_junction_columns] = junction[,added_junction_columns]
+
+out[,"Top V Gene"] = gsub(".* ", "", gsub("\\*.*", "", summ[,"V.GENE.and.allele"]))
+out[,"Top D Gene"] = gsub(".* ", "", gsub("\\*.*", "", summ[,"D.GENE.and.allele"]))
+out[,"Top J Gene"] = gsub(".* ", "", gsub("\\*.*", "", summ[,"J.GENE.and.allele"]))
+
+out = out[,c('Sequence.ID','JUNCTION.frame','Top V Gene','Top D Gene','Top J Gene','CDR1.Seq','CDR1.Length','CDR2.Seq','CDR2.Length','CDR3.Seq','CDR3.Length','CDR3.Seq.DNA','CDR3.Length.DNA','Strand','CDR3.Found.How','Functionality','V.REGION.identity..','V.REGION.identity.nt','D.REGION.reading.frame','AA.JUNCTION','Functionality.comment','Sequence','FR1.IMGT','FR2.IMGT','FR3.IMGT','CDR3.IMGT','JUNCTION','J.REGION','FR4.IMGT','P3.V.nt.nb','N.REGION.nt.nb','N1.REGION.nt.nb','P5.D.nt.nb','P3.D.nt.nb','N2.REGION.nt.nb','P5.J.nt.nb','X3.V.REGION.trimmed.nt.nb','X5.D.REGION.trimmed.nt.nb','X3.D.REGION.trimmed.nt.nb','X5.J.REGION.trimmed.nt.nb','N.REGION','N1.REGION','N2.REGION')]
+
+names(out) = c('ID','VDJ Frame','Top V Gene','Top D Gene','Top J Gene','CDR1 Seq','CDR1 Length','CDR2 Seq','CDR2 Length','CDR3 Seq','CDR3 Length','CDR3 Seq DNA','CDR3 Length DNA','Strand','CDR3 Found How','Functionality','V-REGION identity %','V-REGION identity nt','D-REGION reading frame','AA JUNCTION','Functionality comment','Sequence','FR1-IMGT','FR2-IMGT','FR3-IMGT','CDR3-IMGT','JUNCTION','J-REGION','FR4-IMGT','P3V-nt nb','N-REGION-nt nb','N1-REGION-nt nb','P5D-nt nb','P3D-nt nb','N2-REGION-nt nb','P5J-nt nb','3V-REGION trimmed-nt nb','5D-REGION trimmed-nt nb','3D-REGION trimmed-nt nb','5J-REGION trimmed-nt nb','N-REGION','N1-REGION','N2-REGION')
+
+out[,"VDJ Frame"] = as.character(out[,"VDJ Frame"])
+
+fltr = out[,"VDJ Frame"] == "in-frame"
+if(any(fltr)){
+	out[fltr, "VDJ Frame"] = "In-frame"
+}
+
+fltr = out[,"VDJ Frame"] == "null"
+if(any(fltr)){
+	out[fltr, "VDJ Frame"] = "Out-of-frame"
+}
+
+fltr = out[,"VDJ Frame"] == "out-of-frame"
+if(any(fltr)){
+	out[fltr, "VDJ Frame"] = "Out-of-frame"
+}
+
+fltr = out[,"VDJ Frame"] == ""
+if(any(fltr)){
+	out[fltr, "VDJ Frame"] = "Out-of-frame"
+}
+
+for(col in c('Top V Gene','Top D Gene','Top J Gene')){
+	out[,col] = as.character(out[,col])
+	fltr = out[,col] == ""
+	if(any(fltr)){
+		out[fltr,col] = "NA"
+	}
+}
+
+write.table(out, out.file, sep="\t", quote=F, row.names=F, col.names=T)
--- a/wrapper.sh	Wed Nov 18 05:55:04 2015 -0500
+++ b/wrapper.sh	Thu Jan 28 09:21:25 2016 -0500
@@ -147,7 +147,8 @@
 if [[ "$naive_output" != "None" ]]
 then
 	echo "naive_output: $naive_output"
-	python $dir/imgt_loader.py --summ $PWD/summary.txt --aa $PWD/aa.txt --junction $PWD/junction.txt --output $naive_output
+	#python $dir/imgt_loader.py --summ $PWD/summary.txt --aa $PWD/aa.txt --junction $PWD/junction.txt --output $naive_output
+	Rscript --verbose $dir/imgt_loader.r $PWD/summary.txt $PWD/aa.txt $PWD/junction.txt ${naive_output} 2>&1
 	Rscript $dir/naive_output.r $naive_output $outdir/merged.txt $naive_output 2>&1
 fi