30 October 2013

GNU Make: saving the versions of the tools using 'order-only-prerequisites' : my notebook

Rule 3 of "Ten Simple Rules for Reproducible Computational Research". is
:

Archive the Exact Versions of All External Programs Used
.
I work with Makefile-based workflows: how can I save the version of each software used when I invoke 'make', whatever the target is ? A naive solution is to add a dependency to each target. For example, the following makefile takes a simple SAM file, convert it to BAM, sort and index. For each target, I've added a dependency named "dump_params" that append the version of samtools to a file "config.txt".

But that solution doesn't work because make re-builds all targets even if the top target already exists.
$ make

date << config.txt && \
 echo -n "Samtools " << config.txt && \
 samtools  2<&1 | grep Version << config.txt
samtools view -Sb samtools-0.1.18/examples/toy.sam < unsorted.bam
[samopen] SAM header is present: 2 sequences.
samtools sort unsorted.bam sorted
samtools index sorted.bam


$ make

date << config.txt && \
 echo -n "Samtools " << config.txt && \
 samtools  2<&1 | grep Version << config.txt
samtools view -Sb samtools-0.1.18/examples/toy.sam < unsorted.bam
[samopen] SAM header is present: 2 sequences.
samtools sort unsorted.bam sorted
samtools index sorted.bam

The solution I got via Stackoverflow is to use a order-only-prerequisites: "Order-only prerequisites can be specified by placing a pipe symbol (|) in the prerequisites list: any prerequisites to the left of the pipe symbol are normal; any prerequisites to the right are order-only... (...) Note that if you declare the same file to be both a normal and an order-only prerequisite, the normal prerequisite takes precedence (...)". The makefile with the 'order-only-prerequisites' is now:




And that works ! the final target is generated only once, but the file 'config.txt' is always generated.
$ make
date << config.txt && \
 echo -n "Samtools " << config.txt && \
 samtools  2<&1 | grep Version << config.txt
samtools view -Sb samtools-0.1.18/examples/toy.sam < unsorted.bam
[samopen] SAM header is present: 2 sequences.
samtools sort unsorted.bam sorted
samtools index sorted.bam

$ make
date << config.txt && \
 echo -n "Samtools " << config.txt && \
 samtools  2<&1 | grep Version << config.txt

$ make
date << config.txt && \
 echo -n "Samtools " << config.txt && \
 samtools  2<&1 | grep Version << config.txt
That's it,
Pierre

Update :another solution

Citing MadScientist's answer on stackoverflow : Another option is to use immediately expanded shell functions, like:
__dummy := $(shell echo "Makefile was run." >> config.txt)
Since it's immediately expanded the shell script will be invoked once, as the makefile is read in. There's no need to define a dump_params target or include it as a prerequisite. This is more old-school, but has the advantage that it will run for every invocation of make, without having to go through and ensure every target has the proper order-only prerequisite defined.




25 October 2013

YES: "Choice of transcripts and software has a large effect on variant annotation"

This post was inspired by Aaron Quinlan's tweet:


Here is an example of a missense mutation found with VCFPredictions, a simple tool I wrote for variant effect prediction.

#CHROM POS ID ALT REF 
1 23710805 rs605468 A G
my tool uses the UCSC knownGene track, here is the context of the variant in the UCSC genome browser. There is one exon for TCEA3 (uc021oig.1) on the reverse strand.


If the base at 23710805 is changed from 'A'→'G' on the forward strand, there will be a non-synonymous variation Y(TAT)→H(CAT) on the reverse strand.


At the NCBI rs605468 is said to be " located in the intron region of NM_003196.1."

VEP cannot find this missense variation:

Uploaded Variation Location Allele Gene Feature Feature type Consequence Position in cDNA Position in CDS Position in protein Amino acid change Codon change Co-located Variation Extra
rs605468 1:23710805 G - ENSR00001518296 Transcript regulatory_region_variant - - - - - rs605468 GMAF=A:0.1204
rs605468 1:23710805 G ENSG00000204219 ENST00000476978 Transcript intron_variant - - - - - rs605468 GMAF=A:0.1204
rs605468 1:23710805 G ENSG00000204219 ENST00000450454 Transcript intron_variant - - - - - rs605468 GMAF=A:0.1204

(of course, my tool doesn't find some variations found in VEP too)

That's it,
Pierre

24 October 2013

PubMed Commons & Bioinformatics: a call for action


NCBI pubmed Commons/@PubMedCommons is a new system that enables researchers to share their opinions about scientific publications. Researchers can comment on any publication indexed by PubMed, and read the comments of others.
Now that we can add some comments to the papers in pubmed, I suggest to flag the articles to mark the deprecated softwares, databases, hyperlinks using a simple controlled syntax. Here are a few examples: the line starts with '!MOVED' or '!NOTFOUND' and is followed by a URL or/and a list of PMID or/and a quoted comment.

Examples

!MOVED: for http://www.ncbi.nlm.nih.gov/pubmed/8392714 (Rebase/1993) to http://www.ncbi.nlm.nih.gov/pubmed/19846593 (Rebase/2010)
!MOVED PMID:19846593 "A more recent version" 
In http://www.ncbi.nlm.nih.gov/pubmed/19919682 the URL has moved to http://biogps.org.
!MOVED <http://biogps.org> 
I moved the sources of http://www.ncbi.nlm.nih.gov/pubmed/9682060 to github
!MOVED <https://github.com/lindenb/cloneit/tree/master/c> 
!NOTFOUND: for http://www.ncbi.nlm.nih.gov/pubmed/9545460 ( Biocat EXCEL template ) url http://www.ebi.ac.uk/biocat/biocat.html returns a 404.
!NOTFOUND "The URL http://www.ebi.ac.uk/biocat/biocat.html was not found " 


That's it,

Pierre

23 October 2013

Inside the variation toolkit: Generating a structured document describing an Illumina directory.

I wrote a tool named "Illuminadir" : it creates a structured (JSON or XML) representation of a directory containing some Illumina FASTQs (I only tested it with HiSeq , paired end-data and indexes).

Motivation

Illuminadir scans folders , search for FASTQs and generate a structured summary of the files (xml or json).
Currently only tested with HiSeq data having an index

Compilation

See also Compilation

ant illuminadir

Options

Option Description
IN=File root directories This option may be specified 1 or more times.
JSON=Boolean json output Default value: false. Ouput, could be used with jsvelocity https://github.com/lindenb/jsvelocity

Example

$ java  -jar dist/illuminadir.jar \
	I=dir1 \
	I=dir2 | xsltproc xml2script.xslt > script.bash
(...)

XML output

The XML ouput looks like this:

<?xml version="1.0" encoding="UTF-8"?>
<illumina>
  <!--com.github.lindenb.jvarkit.tools.misc.IlluminaDirectory IN=[RUN62_XFC2DM8ACXX/data]    JSON=false VERBOSITY=INFO QUIET=false VALIDATION_STRINGENCY=STRICT COMPRESSION_LEVEL=5 MAX_RECORDS_IN_RAM=500000 CREATE_INDEX=false CREATE_MD5_FILE=false-->
  <directory path="RUN62_XFC2DM8ACXX/data">
    <samples>
      <sample name="SAMPLE1">
        <pair md5="cd4b436ce7aff4cf669d282c6d9a7899" lane="8" index="ATCACG" split="2">
          <fastq md5filename="3369c3457d6603f06379b654cb78e696" side="1" path="RUN62_XFC2DM8ACXX/data/OUT/Sample_SAMPLE1/SAMPLE1_ATCACG_L008_R1_002.fastq.gz" file-size="359046311"/>
          <fastq md5filename="832039fa00b5f40108848e48eb437e0b" side="2" path="RUN62_XFC2DM8ACXX/data/OUT/Sample_SAMPLE1/SAMPLE1_ATCACG_L008_R2_002.fastq.gz" file-size="359659451"/>
        </pair>
        <pair md5="b3050fa3307e63ab9790b0e263c5d240" lane="8" index="ATCACG" split="3">
          <fastq md5filename="091727bb6b300e463c3d708e157436ab" side="1" path="RUN62_XFC2DM8ACXX/data/OUT/Sample_SAMPLE1/SAMPLE1_ATCACG_L008_R1_003.fastq.gz" file-size="206660736"/>
          <fastq md5filename="20235ef4ec8845515beb4e13da34b5d3" side="2" path="RUN62_XFC2DM8ACXX/data/OUT/Sample_SAMPLE1/SAMPLE1_ATCACG_L008_R2_003.fastq.gz" file-size="206715143"/>
        </pair>
        <pair md5="9f7ee49e87d01610372c43ab928939f6" lane="8" index="ATCACG" split="1">
          <fastq md5filename="54cb2fd33edd5c2e787287ccf1595952" side="1" path="RUN62_XFC2DM8ACXX/data/OUT/Sample_SAMPLE1/SAMPLE1_ATCACG_L008_R1_001.fastq.gz" file-size="354530831"/>
          <fastq md5filename="e937cbdf32020074e50d3332c67cf6b3" side="2" path="RUN62_XFC2DM8ACXX/data/OUT/Sample_SAMPLE1/SAMPLE1_ATCACG_L008_R2_001.fastq.gz" file-size="356908963"/>
        </pair>
        <pair md5="0697846a504158eef523c0f4ede85288" lane="7" index="ATCACG" split="2">
          <fastq md5filename="6fb35d130efae4dcfa79260281504aa3" side="1" path="RUN62_XFC2DM8ACXX/data/OUT/Sample_SAMPLE1/SAMPLE1_ATCACG_L007_R1_002.fastq.gz" file-size="357120615"/>
(...)
      <pair md5="634cbb29ca64604174963a4fff09f37a" lane="7" split="1">
        <fastq md5filename="bc0b283a58946fd75a95b330e0aefdc8" side="1" path="RUN62_XFC2DM8ACXX/data/Undetermined_indices/Sample_lane7/lane7_Undetermined_L007_R1_001.fastq.gz" file-size="371063045"/>
        <fastq md5filename="9eab26c5b593d50d642399d172a11835" side="2" path="RUN62_XFC2DM8ACXX/data/Undetermined_indices/Sample_lane7/lane7_Undetermined_L007_R2_001.fastq.gz" file-size="372221753"/>
      </pair>
      <pair md5="bf31099075d6c3c7ea052b8038cb4a03" lane="8" split="2">
        <fastq md5filename="f229389da36a3efc20888bffdec09b80" side="1" path="RUN62_XFC2DM8ACXX/data/Undetermined_indices/Sample_lane8/lane8_Undetermined_L008_R1_002.fastq.gz" file-size="374331268"/>
        <fastq md5filename="417fd9f28d24f63ce0d0808d97543315" side="2" path="RUN62_XFC2DM8ACXX/data/Undetermined_indices/Sample_lane8/lane8_Undetermined_L008_R2_002.fastq.gz" file-size="372181102"/>
      </pair>
      <pair md5="95cab850b0608c53e8c83b25cfdb3b2b" lane="8" split="3">
        <fastq md5filename="23f5be8a962697f50e2a271394242e2f" side="1" path="RUN62_XFC2DM8ACXX/data/Undetermined_indices/Sample_lane8/lane8_Undetermined_L008_R1_003.fastq.gz" file-size="60303589"/>
        <fastq md5filename="3f39f212c36d0aa884b81649ad56630c" side="2" path="RUN62_XFC2DM8ACXX/data/Undetermined_indices/Sample_lane8/lane8_Undetermined_L008_R2_003.fastq.gz" file-size="59123627"/>
      </pair>
      <pair md5="ab108b1dda7df86f33f375367b86bfe4" lane="8" split="1">
        <fastq md5filename="14f8281cf7d1a53d29cd03cb53a45b4a" side="1" path="RUN62_XFC2DM8ACXX/data/Undetermined_indices/Sample_lane8/lane8_Undetermined_L008_R1_001.fastq.gz" file-size="371255111"/>
        <fastq md5filename="977fd388e1b3451dfcdbf9bdcbb89ed4" side="2" path="RUN62_XFC2DM8ACXX/data/Undetermined_indices/Sample_lane8/lane8_Undetermined_L008_R2_001.fastq.gz" file-size="370744530"/>
      </pair>
    </undetermined>
  </directory>
</illumina>

How to use that file ? here is a example of XSLT stylesheet that can generate a Makefile to generate a LaTeX about the number of reads per Lane/Sample/Index

<?xml version='1.0'  encoding="ISO-8859-1"?>
<xsl:stylesheet
	xmlns:xsl='http://www.w3.org/1999/XSL/Transform'
	version='1.0' 
	> 
<xsl:output method="text"/>


<xsl:template match="/">
.PHONY:all clean

all: report.pdf

report.pdf: report.tex 
	pdflatex $&lt;

report.tex : all.count
	echo 'T&lt;-read.table("$&lt;",head=TRUE,sep="\t");$(foreach FTYPE,Index Sample Lane, T2&lt;-tapply(T$$count,T$$${FTYPE},sum);png("${FTYPE}.png");barplot(T2,las=3);dev.off();)' | R --no-save
	echo "\documentclass{report}" &gt; $@
	echo "\usepackage{graphicx}" &gt;&gt; $@
	echo "\date{\today}" &gt;&gt; $@
	echo "\title{FastQ Report}" &gt;&gt; $@
	echo "\begin{document}" &gt;&gt; $@
	echo "\maketitle" &gt;&gt; $@
	$(foreach FTYPE,Index Sample Lane, echo "\section{By ${FTYPE}}#\begin{center}#\includegraphics{${FTYPE}.png}#\end{center}" | tr "#" "\n" &gt;&gt; $@ ; )
	echo "\end{document}" &gt;&gt; $@
	


all.count : $(addsuffix .count, <xsl:for-each select="//fastq" ><xsl:value-of select="@md5filename"/><xsl:text> </xsl:text></xsl:for-each>) 
	echo -e "Lane\tsplit\tside\tsize\tcount\tIndex\tSample"  &gt; $@ &amp;&amp; \
	cat $^ &gt;&gt; $@

<xsl:apply-templates select="//fastq" mode="count"/>

clean:
	rm -f all.count report.pdf report.tex $(addsuffix .count, <xsl:for-each select="//fastq" ><xsl:value-of select="@md5filename"/><xsl:text> </xsl:text></xsl:for-each>) 

</xsl:template>

<xsl:template match="fastq" mode="count">
$(addsuffix .count, <xsl:value-of select="@md5filename"/>): <xsl:value-of select="@path"/>
	gunzip -c $&lt; | awk '(NR%4==1)' | wc -l  | xargs  printf "<xsl:value-of select="../@lane"/>\t<xsl:value-of select="../@split"/>\t<xsl:value-of select="@side"/>\t<xsl:value-of select="@file-size"/>\t%s\t<xsl:choose><xsl:when test="../@index"><xsl:value-of select="../@index"/></xsl:when><xsl:otherwise>Undetermined</xsl:otherwise></xsl:choose>\t<xsl:choose><xsl:when test="../../@name"><xsl:value-of select="../../@name"/></xsl:when><xsl:otherwise>Undetermined</xsl:otherwise></xsl:choose>\n"   &gt; $@

</xsl:template>
</xsl:stylesheet>
$ xsltproc  illumina.xml illumina2makefile.xsl > Makefile
output:
.PHONY:all clean

all: report.pdf

report.pdf: report.tex 
	pdflatex $<

report.tex : all.count
	echo 'T<-read.table("$<",head=TRUE,sep="\t");$(foreach FTYPE,Index Sample Lane, T2<-tapply(T$$count,T$$${FTYPE},sum);png("${FTYPE}.png");barplot(T2,las=3);dev.off();)' | R --no-save
	echo "\documentclass{report}" > $@
	echo "\usepackage{graphicx}" >> $@
	echo "\date{\today}" >> $@
	echo "\title{FastQ Report}" >> $@
	echo "\begin{document}" >> $@
	echo "\maketitle" >> $@
	$(foreach FTYPE,Index Sample Lane, echo "\section{By ${FTYPE}}#\begin{center}#\includegraphics{${FTYPE}.png}#\end{center}" | tr "#" "\n" >> $@ ; )
	echo "\end{document}" >> $@



all.count : $(addsuffix .count, 3369c3457d6603f06379b654cb78e696 832039fa00b5f40108848e48eb437e0b 091727bb6b300e463c3d708e157436ab 20235ef4ec88....)
	echo -e "Lane\tsplit\tside\tsize\tcount\tIndex\tSample"  > $@ && \
	cat $^ >> $@


$(addsuffix .count, 3369c3457d6603f06379b654cb78e696): RUN62_XFC2DM8ACXX/data/OUT/Sample_SAMPLE1/SAMPLE1_ATCACG_L008_R1_002.fastq.gz
	gunzip -c $< | awk '(NR%4==1)' | wc -l  | xargs  printf "8\t2\t1\t359046311\t%s\tATCACG\tSAMPLE1\n"   > $@


$(addsuffix .count, 832039fa00b5f40108848e48eb437e0b): RUN62_XFC2DM8ACXX/data/OUT/Sample_SAMPLE1/SAMPLE1_ATCACG_L008_R2_002.fastq.gz
	gunzip -c $< | awk '(NR%4==1)' | wc -l  | xargs  printf "8\t2\t2\t359659451\t%s\tATCACG\tSAMPLE1\n"   > $@
(....)

JSON output

The JSON output looks like this

[{"directory":"RUN62_XFC2DM8ACXX/data","samples":[{"sample":"SAMPLE1","files":[{
"md5pair":"cd4b436ce7aff4cf669d282c6d9a7899","lane":8,"index":"ATCACG","split":2
,"forward":{"md5filename":"3369c3457d6603f06379b654cb78e696","path":"20131001_SN
L149_0062_XFC2DM8ACXX/data/OUT/Sample_SAMPLE1/SAMPLE1_ATCACG_L008_R1_002.fastq.g
z","side":1,"file-size":359046311},"reverse":{"md5filename":"832039fa00b5f401088
48e48eb437e0b","path":"20131001_SNL149_0062_XFC2DM8ACXX/data/OUT/Sample_SAMPLE1/
SAMPLE1_ATCACG_L008_R2_002.fastq.gz","side":2,"file-size":359659451}},{"md5pair"
:"b3050fa3307e63ab9790b0e263c5d240","lane":8,"index":"ATCACG","split":3,"forward
":{"md5filename":"091727bb6b300e463c3d708e157436ab","path":"20131001_SNL149_0062
_XFC2DM8ACXX/data/OUT/Sample_SAMPLE1/SAMPLE1_ATCACG_L008_R1_003.fastq.gz","side"
:1,"file-size":206660736},"reverse":{"md5filename":"20235ef4ec8845515beb4e13da34
b5d3","path":"20131001_SNL149_0062_XFC2DM8ACXX/data/OUT/Sample_SAMPLE1/SAMPLE1_A
TCACG_L008_R2_003.fastq.gz","side":2,"file-size":206715143}},{"md5pair":"9f7ee49
e87d01610372c43ab928939f6","lane":8,"index":"ATCACG","split":1,"forward":{"md5fi
lename":"54cb2fd33edd5c2e787287ccf1595952","path":"20131001_SNL149_0062_XFC2DM8A
CXX/data/OUT/Sample_SAMPLE1/SAMPLE1_ATCACG_L008_R1_001.fastq.gz","side":1,"file-
size":354530831},"reverse":{"md5filename":"e937cbdf32020074e50d3332c67cf6b3","pa
th":"20131001_SNL149_0062_XFC2DM8ACXX/data/OUT/Sample_SAMPLE1/SAMPLE1_ATCACG_L00
8_R2_001.fastq.gz","side":2,"file-size":356908963}},{"md5pair":"0697846a504158ee
f523c0f4ede85288","lane":7,"index":"ATCACG","split":2,"forward":{"md5filename":"
It can be processed using a tool like jsvelocity to generate the same kind of Makefile:

The velocity template for jsvelocity


#macro(maketarget $fastq)

$(addsuffix .count, ${fastq.md5filename}): ${fastq.path}
	gunzip -c $< | awk '(NR%4==1)' | wc -l  | xargs  printf "${fastq.parentNode.lane}\t${fastq.parentNode.split}\t${fastq.side}\t${fastq['file-size']}\t%s\t#if(${fastq.parentNode.containsKey("index")})${fastq.parentNode.index}#{else}Undetermined#{end}\t#if(${fastq.parentNode.parentNode.containsKey("name")})${fastq.parentNode.parentNode.name}#{else}Undetermined#{end}\n"   > $@

#end

.PHONY:all clean

all: report.pdf

report.pdf: report.tex 
	pdflatex $<

report.tex : all.count
	echo 'T<-read.table("$<",head=TRUE,sep="\t");$(foreach FTYPE,Index Sample Lane, T2<-tapply(T$$count,T$$${FTYPE},sum);png("${FTYPE}.png");barplot(T2,las=3);dev.off();)' | R --no-save
	echo "\documentclass{report}" > $@
	echo "\usepackage{graphicx}" >> $@
	echo "\date{\today}" >> $@
	echo "\title{FastQ Report}" >> $@
	echo "\begin{document}" >> $@
	echo "\maketitle" >> $@
	$(foreach FTYPE,Index Sample Lane, echo "\section{By ${FTYPE}}#\begin{center}#\includegraphics{${FTYPE}.png}#\end{center}" | tr "#" "\n" >> $@ ; )
	echo "\end{document}" >> $@

all.count : $(addsuffix .count, #foreach($dir in $all) #foreach($sample in ${dir.samples})#foreach($pair in ${sample.files}) ${pair.forward.md5filename}  ${pair.reverse.md5filename} #end #end #foreach($pair in   ${dir.undetermined}) ${pair.forward.md5filename}  ${pair.reverse.md5filename} #end  #end )



#foreach($dir in $all)
#foreach($sample in ${dir.samples})
#foreach($pair in ${sample.files})
#maketarget($pair.forward)
#maketarget($pair.reverse)
#end
#end
#foreach($pair in   ${dir.undetermined})
#maketarget($pair.forward)
#maketarget($pair.reverse)
#end 
#end


clean:
	rm -f all.count  $(addsuffix .count,  #foreach($dir in $all)
#foreach($sample in ${dir.samples})
#foreach($pair in ${sample.files}) ${pair.forward.md5filename}  ${pair.reverse.md5filename}  #end #end
#foreach($pair in   ${dir.undetermined}) ${pair.forward.md5filename}  ${pair.reverse.md5filename}  #end  #end )

transform using jsvelocity:


java -jar dist/jsvelocity.jar \
     -d all illumina.json \
      illumina.vm > Makefile

ouput: same as above

That's it,

Pierre

PS: This post was generated using the XSLT stylesheet :"github2html.xsl" and https://github.com/lindenb/jvarkit/wiki/Illuminadir.

17 October 2013

Rapid prototyping of a read-only Lims using JSON and Apache Velocity.

In a previous post, I showed how to use the Apache Velocity template engine to format JSON data.



Since that post, I've moved my application to a github repository: https://github.com/lindenb/jsvelocity. The project contains a java-based standalone tool to process the JSON data.
Here is an example: The JSON data:

{
individuals:[
    {
    name: "Riri",
    age: 8,
    duck: true
    },
    {
    name: "Fifi",
    age: 9,
    duck: true
    },
    {
    name: "Loulou",
    age: 10,
    duck: true
    }
    ]
}
.... and the velocity template:
#foreach($indi in ${all.individuals})
<h1>${indi['name']}</h1>
Age:${indi.age}<br/>${indi.duck}
#end
... with the following command line ...
$ java -jar dist/jsvelocity.jar \
    -f all test.json \
    test.vm
... produces the following output ...
<h1>Riri</h1>
Age:8<br/>true
<h1>Fifi</h1>
Age:9<br/>true
<h1>Loulou</h1>
Age:10<br/>true


Today I wrote a web version of the tool using the jetty server. I wanted to quickly write a web interface to display various summaries for our NGS experiments.
My JSON input looks like this:
{
"sequencer":[
 {
 "name":"HiSeq"
 },
 {
 "name":"MiSeq"
 }
 ],
"run":[ {
 "sequencer":"HiSeq",
 "flowcell":"C2AVTACXX",
 "name":"131010_C2AVTACXX_61",
 "date":"2013-10-10",
 "comment":"A comment",
 "samples":[
  {
  "name":"CD0001",
  "meancov": 10
  },
  {
  "name":"CD0002",
  "meancov": 20.0
  }
  ,
  {
  "name":"CD0003",
  "meancov": 30.0
  }
  ]
 },
 {
 "sequencer":"MiSeq",
 "flowcell":"C3VATACYY",
 "name":"131011_C3VATACYY_62",
 "date":"2013-10-11",
 "comment":"Another comment",
 "samples":[
  {
  "name":"CD0001",
  "meancov": 11
  },
  {
  "name":"CD0006",
  "meancov": 21.0
  }
  ,
  {
  "name":"CD0008",
  "meancov": null
  }
  ]
 },
 {
 "sequencer":"MiSeq",
 "flowcell":"C4VATACYZ",
 "name":"131012_C4VATACYZ_63",
 "date":"2013-10-12",
 "comment":"Another comment",
 "samples":[
  {
  "name":"CD0010",
  "meancov":1,
  "comment":"Failed, please, re-sequence"
  }
  ]
 }
 
 
 ],
"samples":[ 
 { "name":"CD0001" },
 { "name":"CD0002" },
 { "name":"CD0003" }, 
 { "name":"CD0004" }, 
 { "name":"CD0005" }, 
 { "name":"CD0006" }, 
 { "name":"CD0007" }, 
 { "name":"CD0008" },
 { "name":"CD0009" },
 { "name":"CD0010" }
 ],
"projects":[
 {
 "name":"Disease1",
 "description": "sequencing Project 1",
 "samples":["CD0001","CD0002","CD0006","CD0009"]
 },
 {
 "name":"Disease2",
 "description": "sequencing Project 2",
 "samples":["CD0002","CD0003","CD0008","CD0009"]
 }
 ]

}
One velocity template is used to browse this 'database': https://github.com/lindenb/jsvelocity/blob/master/src/test/resources/velocity/lims.vm.
The server is started like:
java -jar dist/webjsvelocity.jar  \
    -F lims src/test/resources/json/lims.json \
    src/test/resources/velocity/lims.vm

2013-10-17 12:43:35.566:INFO:oejs.Server:main: jetty-9.1.0.M0
2013-10-17 12:43:35.602:INFO:oejs.ServerConnector:main: Started ServerConnector@72dcb6{HTTP/1.1}{0.0.0.0:8080}
(...)
And here is a screenshot of the result:






That's it,

Pierre

15 October 2013

GNU parallel for #bioinformatics : my notebook

This notebook about GNU parallel follows Ole Tange’s GNU parallel tutorial ( http://www.gnu.org/software/parallel/parallel_tutorial.html ) but I tried to use some bioinformatics-related examples (align with BWA, Samtools, etc.. ).



That's it,
Pierre

07 October 2013

Software Environment Management with Modules: my notebook


The following question was recently asked on Biostar "Bioinformatics: how to version control small scripts located all over the server". I suggested to put the scripts in a central repository (under git or whatever ) and to use symbolic links in the workspaces to manage the files. On the other hand, Alex Reynolds suggested to use a Module to deploy versions of a given package.

http://modules.sourceforge.net/: " The Environment Modules package provides for the dynamic modification of a user's environment via modulefiles. Each modulefile contains the information needed to configure the shell for an application. Once the Modules package is initialized, the environment can be modified on a per-module basis using the module command which interprets modulefiles. Typically modulefiles instruct the module command to alter or set shell environment variables such as PATH, MANPATH, etc. modulefiles may be shared by many users on a system and users may have their own collection to supplement or replace the shared modulefiles."




This tool was also suggested on cited by Lex Nederbragt on twitter:



I've just played with Modules, here is my (short) experience.

I've got two versions of samtools on my server : 0.1.18 and 0.1.19, I want to easily switch from one version to another.

I created a hidden directory in my home:
mkdir ~/.modules
it contains a directory "samtools" that will contain the two 'modules files' for the two versions of samtools:
mkdir ~/.modules/samtools

The directory '~/.modules' is added to the variable ${MODULESPATH} ( The path that the module command searches when looking for modulefiles )
$ export MODULEPATH=${MODULEPATH}:${HOME}/.modules

Create the Module File '${HOME}/.modules/samtools/0.1.18' for samtools 0.1.18: This module file add the PATH to samtools0.1.18 and bcftools0.1.18
#%Module1.0

proc ModulesHelp { } {
global dotversion
puts stderr "\tSamtools"
}

module-whatis "Samtools 0.1.18" 
prepend-path PATH /commun/data/packages/samtools-0.1.18/
prepend-path PATH /commun/data/packages/samtools-0.1.18/bcftools

Create the Module File '${HOME}/.modules/samtools/0.1.19' for samtools 0.1.19: This module file add the PATH to samtools0.1.19 and bcftools0.1.19
#%Module1.0

proc ModulesHelp { } {
global dotversion
puts stderr "\tSamtools"
}

module-whatis "Samtools 0.1.19" 
prepend-path PATH /commun/data/packages/samtools-0.1.19/
prepend-path PATH /commun/data/packages/samtools-0.1.19/bcftools

We also create a file '${HOME}/.modules/samtools/.version' to define the default version of samtools:
#%Module1.0
set ModulesVersion "0.1.19"

On startup the shell doesn't know samtools or bcftools:
$ which samtools
/usr/bin/which: no samtools in (/commun/sge_root/bin/lx24-amd64:/usr/lib64/qt-3.3/bin:/usr/local/bin:/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/sbin:/home/lindenb/bin)

$ which bcftools
/usr/bin/which: no bcftools in (/commun/sge_root/bin/lx24-amd64:/usr/lib64/qt-3.3/bin:/usr/local/bin:/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/sbin:/home/lindenb/bin)
List the available modules :
$ module avail                                                                                                

------------------------------------------------ /usr/share/Modules/modulefiles ------------------------------------------------
dot           module-cvs    module-info   modules       mpich2-x86_64 null          use.own

---------------------------------------------------- /home/lindenb/.modules ----------------------------------------------------
samtools/0.1.18          samtools/0.1.19(default)
Let's load the default configuration for samtools:
$ module load samtools

now, the shell know the PATH to samtools:

$ which samtools
/commun/data/packages/samtools-0.1.19/samtools
$ which bcftools
/commun/data/packages/samtools-0.1.19/bcftools/bcftools

Unload the module for samtools:
$ module unload samtools
$ which samtools
/usr/bin/which: no samtools in (/commun/sge_root/bin/lx24-amd64:/usr/lib64/qt-3.3/bin:/usr/local/bin:/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/sbin:/home/lindenb/bin)

$ which bcftools
/usr/bin/which: no bcftools in (/commun/sge_root/bin/lx24-amd64:/usr/lib64/qt-3.3/bin:/usr/local/bin:/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/sbin:/home/lindenb/bin)

Now load the (old) version 0.1.18 of samtools
$ module load samtools/0.1.18

The old versions of samtools and bcftools are now in the $PATH:
$ which samtools
/commun/data/packages/samtools-0.1.18/samtools

$ which bcftools
/commun/data/packages/samtools-0.1.18/bcftools/bcftools
That's it,

Pierre