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Introduction
nf-core/mag is a bioinformatics best-practise analysis pipeline for assembly, binning and annotation of metagenomes.
The pipeline is built using Nextflow , a workflow tool to run tasks across multiple compute infrastructures in a very portable manner. It uses Docker/Singularity containers making installation trivial and results highly reproducible. The Nextflow DSL2 implementation of this pipeline uses one container per process which makes it much easier to maintain and update software dependencies. Where possible, these processes have been submitted to and installed from nf-core/modules in order to make them available to all nf-core pipelines, and to everyone within the Nextflow community!
On release, automated continuous integration tests run the pipeline on a full-sized dataset on the AWS cloud infrastructure. This ensures that the pipeline runs on AWS, has sensible resource allocation defaults set to run on real-world datasets, and permits the persistent storage of results to benchmark between pipeline releases and other analysis sources.The results obtained from the full-sized test can be viewed on the nf-core website .
Pipeline summary
By default, the pipeline currently performs the following: it supports both short and long reads, quality trims the reads and adapters with fastp and Porechop , and performs basic QC with FastQC . The pipeline then:
-
assigns taxonomy to reads using Centrifuge and/or Kraken2
-
performs assembly using MEGAHIT and SPAdes , and checks their quality using Quast
-
(optionally) performs ancient DNA assembly validation using PyDamage and contig consensus sequence recalling with Freebayes and BCFtools
-
predicts protein-coding genes for the assemblies using Prodigal
-
performs metagenome binning using MetaBAT2 , MaxBin2 , and/or with CONCOCT , and checks the quality of the genome bins using Busco , or CheckM , and optionally GUNC .
-
optionally refines bins with DAS Tool
Furthermore, the pipeline creates various reports in the results directory specified, including a MultiQC report summarizing some of the findings and software versions.
Quick Start
-
Install
Nextflow
(>=22.10.1
) -
Install any of
Docker
,Singularity
(you can follow this tutorial ),Podman
,Shifter
orCharliecloud
for full pipeline reproducibility (you can useConda
both to install Nextflow itself and also to manage software within pipelines. Please only use it within pipelines as a last resort; see docs ) . -
Download the pipeline and test it on a minimal dataset with a single command:
nextflow run nf-core/mag -profile test,YOURPROFILE --outdir <OUTDIR>
Note that some form of configuration will be needed so that Nextflow knows how to fetch the required software. This is usually done in the form of a config profile (
YOURPROFILE
in the example command above). You can chain multiple config profiles in a comma-separated string.-
The pipeline comes with config profiles called
docker
,singularity
,podman
,shifter
,charliecloud
andconda
which instruct the pipeline to use the named tool for software management. For example,-profile test,docker
. -
Please check nf-core/configs to see if a custom config file to run nf-core pipelines already exists for your Institute. If so, you can simply use
-profile <institute>
in your command. This will enable eitherdocker
orsingularity
and set the appropriate execution settings for your local compute environment. -
If you are using
singularity
, please use thenf-core download
command to download images first, before running the pipeline. Setting theNXF_SINGULARITY_CACHEDIR
orsingularity.cacheDir
Nextflow options enables you to store and re-use the images from a central location for future pipeline runs. -
If you are using
conda
, it is highly recommended to use theNXF_CONDA_CACHEDIR
orconda.cacheDir
settings to store the environments in a central location for future pipeline runs.
-
-
Start running your own analysis!
nextflow run nf-core/mag -profile <docker/singularity/podman/shifter/charliecloud/conda/institute> --input '*_R{1,2}.fastq.gz' --outdir <OUTDIR>
or
nextflow run nf-core/mag -profile <docker/singularity/podman/shifter/charliecloud/conda/institute> --input samplesheet.csv --outdir <OUTDIR>
See usage docs and parameter docs for all of the available options when running the pipeline.
Documentation
The nf-core/mag pipeline comes with documentation about the pipeline usage , parameters and output . Detailed information about how to specify the input can be found under input specifications .
Group-wise co-assembly and co-abundance computation
Each sample has an associated group ID (see
input specifications
). This group information can be used for group-wise co-assembly with
MEGAHIT
or
SPAdes
and/or to compute co-abundances for the binning step with
MetaBAT2
. By default, group-wise co-assembly is disabled, while the computation of group-wise co-abundances is enabled. For more information about how this group information can be used see the documentation for the parameters
--coassemble_group
and
--binning_map_mode
.
When group-wise co-assembly is enabled,
SPAdes
is run on accordingly pooled read files, since
metaSPAdes
does not yet allow the input of multiple samples or libraries. In contrast,
MEGAHIT
is run for each group while supplying lists of the individual readfiles.
Credits
nf-core/mag was written by Hadrien Gourlé at SLU , Daniel Straub and Sabrina Krakau at the Quantitative Biology Center (QBiC) . James A. Fellows Yates and Maxime Borry at the Max Planck Institute for Evolutionary Anthropology joined in version 2.2.0.
Long read processing was inspired by caspargross/HybridAssembly written by Caspar Gross @caspargross
We thank the following people for their extensive assistance in the development of this pipeline:
Contributions and Support
If you would like to contribute to this pipeline, please see the contributing guidelines .
For further information or help, don't hesitate to get in touch on the
Slack
#mag
channel
(you can join with
this invite
).
Citations
If you use nf-core/mag for your analysis, please cite the preprint as follows:
nf-core/mag: a best-practice pipeline for metagenome hybrid assembly and binning
Sabrina Krakau, Daniel Straub, Hadrien Gourlé, Gisela Gabernet, Sven Nahnsen.
NAR Genom Bioinform. 2022 Feb 2;4(1):lqac007. doi: 10.1093/nargab/lqac007 .
additionally you can cite the pipeline directly with the following doi: 10.5281/zenodo.3589527
An extensive list of references for the tools used by the pipeline can be found in the
CITATIONS.md
file.
You can cite the
nf-core
publication as follows:
The nf-core framework for community-curated bioinformatics pipelines.
Philip Ewels, Alexander Peltzer, Sven Fillinger, Harshil Patel, Johannes Alneberg, Andreas Wilm, Maxime Ulysse Garcia, Paolo Di Tommaso & Sven Nahnsen.
Nat Biotechnol. 2020 Feb 13. doi: 10.1038/s41587-020-0439-x .
Code Snippets
18 19 20 21 22 23 24 25 26 27 | """ if [ -n "${bins}" ] then for file in ${bins}; do [[ \${file} =~ (.*).fasta.gz ]]; bin="\${BASH_REMATCH[1]}" mv \${file} \${bin}.fa.gz done fi """ |
24 25 26 27 28 29 30 31 32 33 34 35 36 37 | """ combine_tables.py --depths_summary ${bin_depths} \ $busco_summary \ $checkm_summary \ $quast_summary \ $gtdbtk_summary \ --out bin_summary.tsv cat <<-END_VERSIONS > versions.yml "${task.process}": python: \$(python --version 2>&1 | sed 's/Python //g') pandas: \$(python -c "import pkg_resources; print(pkg_resources.get_distribution('pandas').version)") END_VERSIONS """ |
21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 | """ INDEX=`find -L ./ -name "*.rev.1.bt2l" -o -name "*.rev.1.bt2" | sed 's/.rev.1.bt2l//' | sed 's/.rev.1.bt2//'` bowtie2 \\ -p "${task.cpus}" \\ -x \$INDEX \\ $args \\ $input \\ 2> "${name}.bowtie2.log" | \ samtools view -@ "${task.cpus}" -bS | \ samtools sort -@ "${task.cpus}" -o "${name}.bam" samtools index "${name}.bam" if [ ${name} = "${assembly_meta.assembler}-${assembly_meta.id}-${assembly_meta.id}" ] ; then mv "${name}.bowtie2.log" "${assembly_meta.assembler}-${assembly_meta.id}.bowtie2.log" fi cat <<-END_VERSIONS > versions.yml "${task.process}": bowtie2: \$(echo \$(bowtie2 --version 2>&1) | sed 's/^.*bowtie2-align-s version //; s/ .*\$//') samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//') pigz: \$( pigz --version 2>&1 | sed 's/pigz //g' ) END_VERSIONS """ |
18 19 20 21 22 23 24 25 26 | """ mkdir bowtie bowtie2-build --threads $task.cpus $assembly "bt2_index_base" cat <<-END_VERSIONS > versions.yml "${task.process}": bowtie2: \$(echo \$(bowtie2 --version 2>&1) | sed 's/^.*bowtie2-align-s version //; s/ .*\$//') END_VERSIONS """ |
28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 | """ bowtie2 -p ${task.cpus} \ -x ${index[0].getSimpleName()} \ -1 "${reads[0]}" -2 "${reads[1]}" \ $args \ --un-conc-gz ${prefix}.unmapped_%.fastq.gz \ --al-conc-gz ${prefix}.mapped_%.fastq.gz \ 1> /dev/null \ 2> ${prefix}.bowtie2.log if [ ${save_ids} = "Y" ] ; then gunzip -c ${prefix}.mapped_1.fastq.gz | awk '{if(NR%4==1) print substr(\$0, 2)}' | LC_ALL=C sort > ${prefix}.mapped_1.read_ids.txt gunzip -c ${prefix}.mapped_2.fastq.gz | awk '{if(NR%4==1) print substr(\$0, 2)}' | LC_ALL=C sort > ${prefix}.mapped_2.read_ids.txt fi rm -f ${prefix}.mapped_*.fastq.gz cat <<-END_VERSIONS > versions.yml "${task.process}": bowtie2: \$(echo \$(bowtie2 --version 2>&1) | sed 's/^.*bowtie2-align-s version //; s/ .*\$//') END_VERSIONS """ |
49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 | """ bowtie2 -p ${task.cpus} \ -x ${index[0].getSimpleName()} \ -U ${reads} \ $args \ --un-gz ${prefix}.unmapped.fastq.gz \ --al-gz ${prefix}.mapped.fastq.gz \ 1> /dev/null \ 2> ${prefix}.bowtie2.log if [ ${save_ids} = "Y" ] ; then gunzip -c ${prefix}.mapped.fastq.gz | awk '{if(NR%4==1) print substr(\$0, 2)}' | LC_ALL=C sort > ${prefix}.mapped.read_ids.txt fi rm -f ${prefix}.mapped.fastq.gz cat <<-END_VERSIONS > versions.yml "${task.process}": bowtie2: \$(echo \$(bowtie2 --version 2>&1) | sed 's/^.*bowtie2-align-s version //; s/ .*\$//') END_VERSIONS """ |
18 19 20 21 22 23 24 25 26 | """ mkdir bowtie bowtie2-build --threads $task.cpus $fasta "bt2_index_base" cat <<-END_VERSIONS > versions.yml "${task.process}": bowtie2: \$(echo \$(bowtie2 --version 2>&1) | sed 's/^.*bowtie2-align-s version //; s/ .*\$//') END_VERSIONS """ |
18 19 20 21 22 23 24 25 26 | """ mkdir buscodb tar -xf ${database} -C buscodb cat <<-END_VERSIONS > versions.yml "${task.process}": tar: \$(tar --version 2>&1 | sed -n 1p | sed 's/tar (GNU tar) //') END_VERSIONS """ |
40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 | """ # ensure augustus has write access to config directory if [ ${cp_augustus_config} = "Y" ] ; then cp -r /usr/local/config/ augustus_config/ export AUGUSTUS_CONFIG_PATH=augustus_config fi # place db in extra folder to ensure BUSCO recognizes it as path (instead of downloading it) if [ ${lineage_dataset_provided} = "Y" ] ; then mkdir dataset mv ${db} dataset/ fi # set nullgob: if pattern matches no files, expand to a null string rather than to itself shopt -s nullglob # only used for saving busco downloads most_spec_db="NA" if busco ${p} \ --mode genome \ --in ${bin} \ --cpu "${task.cpus}" \ --out "BUSCO" > ${bin}_busco.log 2> ${bin}_busco.err; then # get name of used specific lineage dataset summaries=(BUSCO/short_summary.specific.*.BUSCO.txt) if [ \${#summaries[@]} -ne 1 ]; then echo "ERROR: none or multiple 'BUSCO/short_summary.specific.*.BUSCO.txt' files found. Expected one." exit 1 fi [[ \$summaries =~ BUSCO/short_summary.specific.(.*).BUSCO.txt ]]; db_name_spec="\${BASH_REMATCH[1]}" most_spec_db=\${db_name_spec} echo "Used specific lineage dataset: \${db_name_spec}" if [ ${lineage_dataset_provided} = "Y" ]; then cp BUSCO/short_summary.specific.\${db_name_spec}.BUSCO.txt short_summary.specific_lineage.\${db_name_spec}.${bin}.txt # if lineage dataset is provided, BUSCO analysis does not fail in case no genes can be found as when using the auto selection setting # report bin as failed to allow consistent warnings within the pipeline for both settings if egrep -q \$'WARNING:\tBUSCO did not find any match.' ${bin}_busco.log ; then echo "WARNING: BUSCO could not find any genes for the provided lineage dataset! See also ${bin}_busco.log." echo -e "${bin}\tNo genes" > "${bin}_busco.failed_bin.txt" fi else # auto lineage selection if { egrep -q \$'INFO:\t\\S+ selected' ${bin}_busco.log \ && egrep -q \$'INFO:\tLineage \\S+ is selected, supported by ' ${bin}_busco.log ; } || \ { egrep -q \$'INFO:\t\\S+ selected' ${bin}_busco.log \ && egrep -q \$'INFO:\tThe results from the Prodigal gene predictor indicate that your data belongs to the mollicutes clade. Testing subclades...' ${bin}_busco.log \ && egrep -q \$'INFO:\tUsing local lineages directory ' ${bin}_busco.log ; }; then # the second statement is necessary, because certain mollicute clades use a different genetic code, are not part of the BUSCO placement tree, are tested separately # and cause different log messages echo "Domain and specific lineage could be selected by BUSCO." cp BUSCO/short_summary.specific.\${db_name_spec}.BUSCO.txt short_summary.specific_lineage.\${db_name_spec}.${bin}.txt db_name_gen="" summaries_gen=(BUSCO/short_summary.generic.*.BUSCO.txt) if [ \${#summaries_gen[@]} -lt 1 ]; then echo "No 'BUSCO/short_summary.generic.*.BUSCO.txt' file found. Assuming selected domain and specific lineages are the same." cp BUSCO/short_summary.specific.\${db_name_spec}.BUSCO.txt short_summary.domain.\${db_name_spec}.${bin}.txt db_name_gen=\${db_name_spec} else [[ \$summaries_gen =~ BUSCO/short_summary.generic.(.*).BUSCO.txt ]]; db_name_gen="\${BASH_REMATCH[1]}" echo "Used generic lineage dataset: \${db_name_gen}" cp BUSCO/short_summary.generic.\${db_name_gen}.BUSCO.txt short_summary.domain.\${db_name_gen}.${bin}.txt fi for f in BUSCO/run_\${db_name_gen}/busco_sequences/single_copy_busco_sequences/*faa; do cat BUSCO/run_\${db_name_gen}/busco_sequences/single_copy_busco_sequences/*faa | gzip >${bin}_buscos.\${db_name_gen}.faa.gz break done for f in BUSCO/run_\${db_name_gen}/busco_sequences/single_copy_busco_sequences/*fna; do cat BUSCO/run_\${db_name_gen}/busco_sequences/single_copy_busco_sequences/*fna | gzip >${bin}_buscos.\${db_name_gen}.fna.gz break done elif egrep -q \$'INFO:\t\\S+ selected' ${bin}_busco.log && egrep -q \$'INFO:\tNo marker genes were found. Root lineage \\S+ is kept' ${bin}_busco.log ; then echo "Domain could be selected by BUSCO, but no more specific lineage." cp BUSCO/short_summary.specific.\${db_name_spec}.BUSCO.txt short_summary.domain.\${db_name_spec}.${bin}.txt elif egrep -q \$'INFO:\t\\S+ selected' ${bin}_busco.log && egrep -q \$'INFO:\tNot enough markers were placed on the tree \\([0-9]*\\). Root lineage \\S+ is kept' ${bin}_busco.log ; then echo "Domain could be selected by BUSCO, but no more specific lineage." cp BUSCO/short_summary.specific.\${db_name_spec}.BUSCO.txt short_summary.domain.\${db_name_spec}.${bin}.txt elif egrep -q \$'INFO:\t\\S+ selected' ${bin}_busco.log && egrep -q \$'INFO:\tRunning virus detection pipeline' ${bin}_busco.log ; then # TODO double-check if selected dataset is not one of bacteria_*, archaea_*, eukaryota_*? echo "Domain could not be selected by BUSCO, but virus dataset was selected." cp BUSCO/short_summary.specific.\${db_name_spec}.BUSCO.txt short_summary.specific_lineage.\${db_name_spec}.${bin}.txt else echo "ERROR: Some not expected case occurred! See ${bin}_busco.log." >&2 exit 1 fi fi for f in BUSCO/run_\${db_name_spec}/busco_sequences/single_copy_busco_sequences/*faa; do cat BUSCO/run_\${db_name_spec}/busco_sequences/single_copy_busco_sequences/*faa | gzip >${bin}_buscos.\${db_name_spec}.faa.gz break done for f in BUSCO/run_\${db_name_spec}/busco_sequences/single_copy_busco_sequences/*fna; do cat BUSCO/run_\${db_name_spec}/busco_sequences/single_copy_busco_sequences/*fna | gzip >${bin}_buscos.\${db_name_spec}.fna.gz break done elif egrep -q \$'ERROR:\tNo genes were recognized by BUSCO' ${bin}_busco.err ; then echo "WARNING: BUSCO analysis failed due to no recognized genes! See also ${bin}_busco.err." echo -e "${bin}\tNo genes" > "${bin}_busco.failed_bin.txt" elif egrep -q \$'INFO:\t\\S+ selected' ${bin}_busco.log && egrep -q \$'ERROR:\tPlacements failed' ${bin}_busco.err ; then echo "WARNING: BUSCO analysis failed due to failed placements! See also ${bin}_busco.err. Still using results for selected generic lineage dataset." echo -e "${bin}\tPlacements failed" > "${bin}_busco.failed_bin.txt" message=\$(egrep \$'INFO:\t\\S+ selected' ${bin}_busco.log) [[ \$message =~ INFO:[[:space:]]([_[:alnum:]]+)[[:space:]]selected ]]; db_name_gen="\${BASH_REMATCH[1]}" most_spec_db=\${db_name_gen} echo "Used generic lineage dataset: \${db_name_gen}" cp BUSCO/auto_lineage/run_\${db_name_gen}/short_summary.txt short_summary.domain.\${db_name_gen}.${bin}.txt for f in BUSCO/auto_lineage/run_\${db_name_gen}/busco_sequences/single_copy_busco_sequences/*faa; do cat BUSCO/auto_lineage/run_\${db_name_gen}/busco_sequences/single_copy_busco_sequences/*faa | gzip >${bin}_buscos.\${db_name_gen}.faa.gz break done for f in BUSCO/auto_lineage/run_\${db_name_gen}/busco_sequences/single_copy_busco_sequences/*fna; do cat BUSCO/auto_lineage/run_\${db_name_gen}/busco_sequences/single_copy_busco_sequences/*fna | gzip >${bin}_buscos.\${db_name_gen}.fna.gz break done else echo "ERROR: BUSCO analysis failed for some unknown reason! See also ${bin}_busco.err." >&2 exit 1 fi # additionally output genes predicted with Prodigal (GFF3) if [ -f BUSCO/logs/prodigal_out.log ]; then mv BUSCO/logs/prodigal_out.log "${bin}_prodigal.gff" fi # if needed delete temporary BUSCO files if [ ${busco_clean} ]; then find . -depth -type d -name "augustus_config" -execdir rm -rf "{}" \\; find . -depth -type d -name "auto_lineage" -execdir rm -rf "{}" \\; find . -depth -type d -name "run_*" -execdir rm -rf "{}" + fi cat <<-END_VERSIONS > versions.yml "${task.process}": python: \$(python --version 2>&1 | sed 's/Python //g') R: \$(R --version 2>&1 | sed -n 1p | sed 's/R version //' | sed 's/ (.*//') busco: \$(busco --version 2>&1 | sed 's/BUSCO //g') END_VERSIONS """ |
17 18 | """ """ |
24 25 26 27 28 29 30 31 32 | """ summary_busco.py $auto $ss $sd $f -o busco_summary.tsv cat <<-END_VERSIONS > versions.yml "${task.process}": python: \$(python --version 2>&1 | sed 's/Python //g') pandas: \$(python -c "import pkg_resources; print(pkg_resources.get_distribution('pandas').version)") END_VERSIONS """ |
15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 | """ CAT prepare --fresh # get name/date of generated datase out=(*_taxonomy/) [[ \$out =~ (.*)_taxonomy/ ]]; DB_NAME="CAT_prepare_\${BASH_REMATCH[1]}" mv *_taxonomy taxonomy mv *_database database rm database/*.nr.gz if [ ${save_db} = "Y" ] ; then tar -cf - taxonomy database | gzip > "\${DB_NAME}".tar.gz fi cat <<-END_VERSIONS > versions.yml "${task.process}": CAT: \$(CAT --version | sed "s/CAT v//; s/(.*//") diamond: \$(diamond --version 2>&1 | tail -n 1 | sed 's/^diamond version //') END_VERSIONS """ |
17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 | """ if [[ ${database} != *.tar.gz ]]; then ln -sr `find ${database}/ -type d -name "*taxonomy*"` taxonomy ln -sr `find ${database}/ -type d -name "*database*"` database else mkdir catDB tar -xf ${database} -C catDB mv `find catDB/ -type d -name "*taxonomy*"` taxonomy/ mv `find catDB/ -type d -name "*database*"` database/ fi cat <<-END_VERSIONS > versions.yml "${task.process}": tar: \$(tar --version 2>&1 | sed -n 1p | sed 's/tar (GNU tar) //') END_VERSIONS """ |
24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 | """ CAT bins -b "bins/" -d database/ -t taxonomy/ -n "${task.cpus}" -s .fa --top 6 -o "${meta.assembler}-${meta.binner}-${meta.id}" --I_know_what_Im_doing CAT add_names -i "${meta.assembler}-${meta.binner}-${meta.id}.ORF2LCA.txt" -o "${meta.assembler}-${meta.binner}-${meta.id}.ORF2LCA.names.txt" -t taxonomy/ ${official_taxonomy} CAT add_names -i "${meta.assembler}-${meta.binner}-${meta.id}.bin2classification.txt" -o "${meta.assembler}-${meta.binner}-${meta.id}.bin2classification.names.txt" -t taxonomy/ ${official_taxonomy} mkdir raw mv *.ORF2LCA.txt *.predicted_proteins.faa *.predicted_proteins.gff *.log *.bin2classification.txt raw/ gzip "raw/${meta.assembler}-${meta.binner}-${meta.id}.ORF2LCA.txt" \ "raw/${meta.assembler}-${meta.binner}-${meta.id}.concatenated.predicted_proteins.faa" \ "raw/${meta.assembler}-${meta.binner}-${meta.id}.concatenated.predicted_proteins.gff" \ "raw/${meta.assembler}-${meta.binner}-${meta.id}.bin2classification.txt" \ "${meta.assembler}-${meta.binner}-${meta.id}.ORF2LCA.names.txt" \ "${meta.assembler}-${meta.binner}-${meta.id}.bin2classification.names.txt" cat <<-END_VERSIONS > versions.yml "${task.process}": CAT: \$(CAT --version | sed "s/CAT v//; s/(.*//") diamond: \$(diamond --version 2>&1 | tail -n 1 | sed 's/^diamond version //') END_VERSIONS """ |
18 19 20 21 22 23 24 25 26 27 28 | """ # use find as sometimes these are empty and need to fail gracefully find -L -type f -name "*bin2classification.names.txt.gz" -exec sh -c 'for f do gunzip -c \$f > \${f%.*}; done' find-sh {} + bioawk '(NR == 1) || (FNR > 1)' *.txt > ${prefix}.tsv cat <<-END_VERSIONS > versions.yml "${task.process}": bioawk: \$(bioawk --version | cut -f 3 -d ' ' ) END_VERSIONS """ |
16 17 18 19 20 21 22 23 | """ tar -xf "${db}" cat <<-END_VERSIONS > versions.yml "${task.process}": tar: \$(tar --version 2>&1 | sed -n 1p | sed 's/tar (GNU tar) //') END_VERSIONS """ |
21 22 23 24 25 26 27 28 29 30 31 32 33 34 | """ centrifuge -x "${db_name}" \ -p ${task.cpus} \ --report-file report.txt \ -S results.txt \ $input centrifuge-kreport -x "${db_name}" results.txt > kreport.txt cat results.txt | cut -f 1,3 > results.krona cat <<-END_VERSIONS > versions.yml "${task.process}": centrifuge: \$(centrifuge --version | sed -n 1p | sed 's/^.*centrifuge-class version //') END_VERSIONS """ |
18 19 20 21 22 23 24 25 | """ bioawk '(NR == 1) || (FNR > 1)' ${bin_summaries} > ${prefix}.tsv cat <<-END_VERSIONS > versions.yml "${task.process}": bioawk: \$(bioawk --version | cut -f 3 -d ' ' ) END_VERSIONS """ |
19 20 21 22 23 24 25 26 27 | """ gunzip -f $depth bioawk -t '{ { if (NR > 1) { { print \$1, \$3 } } } }' ${depth.toString() - '.gz'} > ${prefix}_mb2_depth.txt cat <<-END_VERSIONS > versions.yml "${task.process}": bioawk: \$(bioawk --version | cut -f 3 -d ' ' ) END_VERSIONS """ |
17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 | """ filtlong \ -1 ${short_reads_1} \ -2 ${short_reads_2} \ --min_length ${params.longreads_min_length} \ --keep_percent ${params.longreads_keep_percent} \ --trim \ --length_weight ${params.longreads_length_weight} \ ${long_reads} | gzip > ${meta.id}_lr_filtlong.fastq.gz cat <<-END_VERSIONS > versions.yml "${task.process}": filtlong: \$(filtlong --version | sed -e "s/Filtlong v//g") END_VERSIONS """ |
28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 | """ export GTDBTK_DATA_PATH="\${PWD}/database" if [ ${pplacer_scratch} != "" ] ; then mkdir pplacer_tmp fi gtdbtk classify_wf $args \ --genome_dir bins \ --prefix "gtdbtk.${meta.assembler}-${meta.binner}-${meta.id}" \ --out_dir "\${PWD}" \ --cpus ${task.cpus} \ --pplacer_cpus ${params.gtdbtk_pplacer_cpus} \ ${pplacer_scratch} \ --min_perc_aa ${params.gtdbtk_min_perc_aa} \ --min_af ${params.gtdbtk_min_af} gzip "gtdbtk.${meta.assembler}-${meta.binner}-${meta.id}".*.classify.tree "gtdbtk.${meta.assembler}-${meta.binner}-${meta.id}".*.msa.fasta mv gtdbtk.log "gtdbtk.${meta.assembler}-${meta.binner}-${meta.id}.log" mv gtdbtk.warnings.log "gtdbtk.${meta.assembler}-${meta.binner}-${meta.id}.warnings.log" cat <<-END_VERSIONS > versions.yml "${task.process}": gtdbtk: \$(gtdbtk --version | sed -n 1p | sed "s/gtdbtk: version //; s/ Copyright.*//") END_VERSIONS """ |
16 17 18 19 20 21 22 23 24 | """ mkdir database tar -xzf ${database} -C database --strip 1 cat <<-END_VERSIONS > versions.yml "${task.process}": tar: \$(tar --version 2>&1 | sed -n 1p | sed 's/tar (GNU tar) //') END_VERSIONS """ |
25 26 27 28 29 30 31 32 33 | """ summary_gtdbtk.py $args $discarded $summaries $filtered $failed --out gtdbtk_summary.tsv cat <<-END_VERSIONS > versions.yml "${task.process}": python: \$(python --version 2>&1 | sed 's/Python //g') pandas: \$(python -c "import pkg_resources; print(pkg_resources.get_distribution('pandas').version)") END_VERSIONS """ |
16 17 18 19 20 21 22 23 24 25 26 | """ mkdir db_tmp tar -xf "${db}" -C db_tmp mkdir database mv `find db_tmp/ -name "*.k2d"` database/ cat <<-END_VERSIONS > versions.yml "${task.process}": tar: \$(tar --version 2>&1 | sed -n 1p | sed 's/tar (GNU tar) //') END_VERSIONS """ |
20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 | """ kraken2 \ --report-zero-counts \ --threads ${task.cpus} \ --db database \ --report kraken2_report.txt \ $input \ > kraken2.kraken cat kraken2.kraken | cut -f 2,3 > results.krona cat <<-END_VERSIONS > versions.yml "${task.process}": kraken2: \$(echo \$(kraken2 --version 2>&1) | sed 's/^.*Kraken version //' | sed 's/ Copyright.*//') END_VERSIONS """ |
13 14 15 16 17 18 19 20 | """ ktUpdateTaxonomy.sh taxonomy cat <<-END_VERSIONS > versions.yml "${task.process}": ktImportTaxonomy: \$(ktImportTaxonomy 2>&1 | sed -n '/KronaTools /p' | sed 's/^.*KronaTools //; s/ - ktImportTaxonomy.*//') END_VERSIONS """ |
18 19 20 21 22 23 24 25 | """ ktImportTaxonomy "$report" -tax taxonomy cat <<-END_VERSIONS > versions.yml "${task.process}": ktImportTaxonomy: \$(ktImportTaxonomy 2>&1 | sed -n '/KronaTools /p' | sed 's/^.*KronaTools //; s/ - ktImportTaxonomy.*//') END_VERSIONS """ |
18 19 20 21 22 23 24 25 26 27 28 29 30 | """ get_mag_depths.py --bins ${bins} \\ --depths ${contig_depths} \\ --assembler ${meta.assembler} \\ --id ${meta.id} \\ --binner ${meta.binner} cat <<-END_VERSIONS > versions.yml "${task.process}": python: \$(python --version 2>&1 | sed 's/Python //g') pandas: \$(python -c "import pkg_resources; print(pkg_resources.get_distribution('pandas').version)") END_VERSIONS """ |
18 19 20 21 22 23 24 25 26 27 28 29 | """ plot_mag_depths.py --bin_depths ${depths} \ --groups ${sample_groups} \ --out "${meta.assembler}-${meta.binner}-${meta.id}-binDepths.heatmap.png" cat <<-END_VERSIONS > versions.yml "${task.process}": python: \$(python --version 2>&1 | sed 's/Python //g') pandas: \$(python -c "import pkg_resources; print(pkg_resources.get_distribution('pandas').version)") seaborn: \$(python -c "import pkg_resources; print(pkg_resources.get_distribution('seaborn').version)") END_VERSIONS """ |
17 18 19 20 21 22 23 24 25 26 | """ get_mag_depths_summary.py --depths ${mag_depths} \ --out "${prefix}.tsv" cat <<-END_VERSIONS > versions.yml "${task.process}": python: \$(python --version 2>&1 | sed 's/Python //g') pandas: \$(python -c "import pkg_resources; print(pkg_resources.get_distribution('pandas').version)") END_VERSIONS """ |
23 24 25 26 27 28 29 30 31 32 | """ megahit $args -t "${task.cpus}" -m $mem $input -o MEGAHIT --out-prefix "MEGAHIT-${meta.id}" gzip -c "MEGAHIT/MEGAHIT-${meta.id}.contigs.fa" > "MEGAHIT/MEGAHIT-${meta.id}.contigs.fa.gz" cat <<-END_VERSIONS > versions.yml "${task.process}": megahit: \$(echo \$(megahit -v 2>&1) | sed 's/MEGAHIT v//') END_VERSIONS """ |
31 32 33 34 35 36 37 38 39 40 41 42 | """ # get multiqc parsed data for bowtie2 multiqc -f $custom_config_file *.bowtie2.log multiqc_to_custom_tsv.py ${read_type} # run multiqc using custom content file instead of original bowtie2 log files multiqc -f $custom_config_file --ignore "*.bowtie2.log" . cat <<-END_VERSIONS > versions.yml "${task.process}": multiqc: \$( multiqc --version | sed -e "s/multiqc, version //g" ) END_VERSIONS """ |
44 45 46 47 48 49 50 51 | """ multiqc -f $args . cat <<-END_VERSIONS > versions.yml "${task.process}": multiqc: \$( multiqc --version | sed -e "s/multiqc, version //g" ) END_VERSIONS """ |
19 20 21 22 23 24 25 26 27 28 29 | """ cat ${reads} | NanoLyse --reference $nanolyse_db | gzip > ${meta.id}_nanolyse.fastq.gz echo "NanoLyse reference: $params.lambda_reference" >${meta.id}_nanolyse.log cat ${reads} | echo "total reads before NanoLyse: \$((`wc -l`/4))" >>${meta.id}_nanolyse.log gunzip -c ${meta.id}_nanolyse.fastq.gz | echo "total reads after NanoLyse: \$((`wc -l`/4))" >> ${meta.id}_nanolyse.log cat <<-END_VERSIONS > versions.yml "${task.process}": NanoLyse: \$(NanoLyse --version | sed -e "s/NanoLyse //g") END_VERSIONS """ |
21 22 23 24 25 26 27 28 29 30 31 32 | """ NanoPlot -t ${task.cpus} \ ${prefix} \ --title ${title} \ -c darkblue \ --fastq ${reads} cat <<-END_VERSIONS > versions.yml "${task.process}": NanoPlot: \$(NanoPlot --version | sed -e "s/NanoPlot //g") END_VERSIONS """ |
17 18 19 20 21 22 23 24 25 | """ cat ${reads1} > "pooled_${meta.id}_1.fastq.gz" cat ${reads2} > "pooled_${meta.id}_2.fastq.gz" cat <<-END_VERSIONS > versions.yml "${task.process}": cat: \$(cat --version 2>&1 | sed -n 1p | sed 's/cat (GNU coreutils) //') END_VERSIONS """ |
17 18 19 20 21 22 23 24 | """ cat ${reads} > "pooled_${meta.id}.fastq.gz" cat <<-END_VERSIONS > versions.yml "${task.process}": cat: \$(cat --version 2>&1 | sed -n 1p | sed 's/cat (GNU coreutils) //') END_VERSIONS """ |
17 18 19 20 21 22 23 24 | """ porechop -i ${reads} -t ${task.cpus} -o ${meta.id}_porechop.fastq cat <<-END_VERSIONS > versions.yml "${task.process}": porechop: \$(porechop --version) END_VERSIONS """ |
18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 | """ BINS=\$(echo \"$bins\" | sed 's/[][]//g') IFS=', ' read -r -a bins <<< \"\$BINS\" for bin in \"\${bins[@]}\"; do metaquast.py --threads "${task.cpus}" --max-ref-number 0 --rna-finding --gene-finding -l "\${bin}" "\${bin}" -o "QUAST/\${bin}" if ! [ -f "QUAST/${meta.assembler}-${meta.binner}-${meta.id}-quast_summary.tsv" ]; then cp "QUAST/\${bin}/transposed_report.tsv" "QUAST/${meta.assembler}-${meta.binner}-${meta.id}-quast_summary.tsv" else tail -n +2 "QUAST/\${bin}/transposed_report.tsv" >> "QUAST/${meta.assembler}-${meta.binner}-${meta.id}-quast_summary.tsv" fi done cat <<-END_VERSIONS > versions.yml "${task.process}": python: \$(python --version 2>&1 | sed 's/Python //g') metaquast: \$(metaquast.py --version | sed "s/QUAST v//; s/ (MetaQUAST mode)//") END_VERSIONS """ |
16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 | """ QUAST_BIN=\$(echo \"$summaries\" | sed 's/[][]//g') IFS=', ' read -r -a quast_bin <<< \"\$QUAST_BIN\" for quast_file in \"\${quast_bin[@]}\"; do if ! [ -f "quast_summary.tsv" ]; then cp "\${quast_file}" "quast_summary.tsv" else tail -n +2 "\${quast_file}" >> "quast_summary.tsv" fi done cat <<-END_VERSIONS > versions.yml "${task.process}": sed: \$(sed --version 2>&1 | sed -n 1p | sed 's/sed (GNU sed) //') END_VERSIONS """ |
17 18 19 20 21 22 23 24 25 | """ metaquast.py --threads "${task.cpus}" --rna-finding --max-ref-number 0 -l "${meta.assembler}-${meta.id}" "${assembly}" -o "QUAST" cat <<-END_VERSIONS > versions.yml "${task.process}": python: \$(python --version 2>&1 | sed 's/Python //g') metaquast: \$(metaquast.py --version | sed "s/QUAST v//; s/ (MetaQUAST mode)//") END_VERSIONS """ |
19 20 21 22 23 | """ if [[ -f unbinned.fa ]]; then mv unbinned.fa ${meta.assembler}-DASToolUnbinned-${meta.id}.fa fi """ |
18 19 20 21 22 23 24 25 26 27 28 29 30 31 | """ if [ -n "${bins}" ] then for bin in ${bins}; do if [[ \${bin} =~ ${meta.assembler}-${meta.binner}-${meta.id}.([_[:alnum:]]+).fa ]]; then num=\${BASH_REMATCH[1]} mv \${bin} ${meta.assembler}-${meta.binner}Refined-${meta.id}.\${num}.fa else echo "ERROR: the bin filename \${bin} does not match the expected format '${meta.assembler}-${meta.binner}-${meta.id}.([_[:alnum:]]+).fa'!" exit 1 fi done fi """ |
24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 | """ metaspades.py \ $args \ --threads "${task.cpus}" \ --memory $maxmem \ --pe1-1 ${short_reads[0]} \ --pe1-2 ${short_reads[1]} \ --nanopore ${long_reads} \ -o spades mv spades/assembly_graph_with_scaffolds.gfa SPAdesHybrid-${meta.id}_graph.gfa mv spades/scaffolds.fasta SPAdesHybrid-${meta.id}_scaffolds.fasta mv spades/contigs.fasta SPAdesHybrid-${meta.id}_contigs.fasta mv spades/spades.log SPAdesHybrid-${meta.id}.log gzip "SPAdesHybrid-${meta.id}_contigs.fasta" gzip "SPAdesHybrid-${meta.id}_graph.gfa" gzip -c "SPAdesHybrid-${meta.id}_scaffolds.fasta" > "SPAdesHybrid-${meta.id}_scaffolds.fasta.gz" cat <<-END_VERSIONS > versions.yml "${task.process}": python: \$(python --version 2>&1 | sed 's/Python //g') metaspades: \$(metaspades.py --version | sed "s/SPAdes genome assembler v//; s/ \\[.*//") END_VERSIONS """ |
24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 | """ metaspades.py \ $args \ --threads "${task.cpus}" \ --memory $maxmem \ --pe1-1 ${reads[0]} \ --pe1-2 ${reads[1]} \ -o spades mv spades/assembly_graph_with_scaffolds.gfa SPAdes-${meta.id}_graph.gfa mv spades/scaffolds.fasta SPAdes-${meta.id}_scaffolds.fasta mv spades/contigs.fasta SPAdes-${meta.id}_contigs.fasta mv spades/spades.log SPAdes-${meta.id}.log gzip "SPAdes-${meta.id}_contigs.fasta" gzip "SPAdes-${meta.id}_graph.gfa" gzip -c "SPAdes-${meta.id}_scaffolds.fasta" > "SPAdes-${meta.id}_scaffolds.fasta.gz" cat <<-END_VERSIONS > versions.yml "${task.process}": python: \$(python --version 2>&1 | sed 's/Python //g') metaspades: \$(metaspades.py --version | sed "s/SPAdes genome assembler v//; s/ \\[.*//") END_VERSIONS """ |
21 22 23 24 25 26 27 28 29 30 31 32 33 | """ # save unbinned contigs above thresholds into individual files, dump others in one file split_fasta.py $unbinned ${params.min_length_unbinned_contigs} ${params.max_unbinned_contigs} ${params.min_contig_size} gzip *.fa cat <<-END_VERSIONS > versions.yml "${task.process}": python: \$(python --version 2>&1 | sed 's/Python //g') biopython: 1.7.4 pandas: \$(python -c "import pkg_resources; print(pkg_resources.get_distribution('pandas').version)") END_VERSIONS """ |
33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 | """ AdapterRemoval \\ --file1 $reads \\ $args \\ $list \\ --basename ${prefix} \\ --threads ${task.cpus} \\ --seed 42 \\ --gzip ensure_fastq() { if [ -f "\${1}" ]; then mv "\${1}" "\${1::-3}.fastq.gz" fi } ensure_fastq '${prefix}.truncated.gz' ensure_fastq '${prefix}.discarded.gz' cat <<-END_VERSIONS > versions.yml "${task.process}": adapterremoval: \$(AdapterRemoval --version 2>&1 | sed -e "s/AdapterRemoval ver. //g") END_VERSIONS """ |
59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 | """ AdapterRemoval \\ --file1 ${reads[0]} \\ --file2 ${reads[1]} \\ $args \\ $list \\ --basename ${prefix} \\ --threads $task.cpus \\ --seed 42 \\ --gzip ensure_fastq() { if [ -f "\${1}" ]; then mv "\${1}" "\${1::-3}.fastq.gz" fi } ensure_fastq '${prefix}.truncated.gz' ensure_fastq '${prefix}.discarded.gz' ensure_fastq '${prefix}.pair1.truncated.gz' ensure_fastq '${prefix}.pair2.truncated.gz' ensure_fastq '${prefix}.collapsed.gz' ensure_fastq '${prefix}.collapsed.truncated.gz' ensure_fastq '${prefix}.paired.gz' cat <<-END_VERSIONS > versions.yml "${task.process}": adapterremoval: \$(AdapterRemoval --version 2>&1 | sed -e "s/AdapterRemoval ver. //g") END_VERSIONS """ |
25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 | """ set -e aria2c \\ --check-certificate=false \\ $args \\ $source_url mkdir checkm_data_2015_01_16/ tar x -C checkm_data_2015_01_16 -v -z -f *.tar.gz cat <<-END_VERSIONS > versions.yml "${task.process}": aria2: \$(echo \$(aria2c --version 2>&1) | grep 'aria2 version' | cut -f3 -d ' ') END_VERSIONS """ |
23 24 25 26 27 28 29 30 31 32 33 34 35 | """ cat $fasta \\ | bcftools \\ consensus \\ $vcf \\ $args \\ > ${prefix}.fa cat <<-END_VERSIONS > versions.yml "${task.process}": bcftools: \$(bcftools --version 2>&1 | head -n1 | sed 's/^.*bcftools //; s/ .*\$//') END_VERSIONS """ |
25 26 27 28 29 30 31 32 33 34 35 36 | """ bcftools \\ index \\ $args \\ --threads $task.cpus \\ $vcf cat <<-END_VERSIONS > versions.yml "${task.process}": bcftools: \$(bcftools --version 2>&1 | head -n1 | sed 's/^.*bcftools //; s/ .*\$//') END_VERSIONS """ |
29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 | """ bcftools view \\ --output ${prefix}.vcf.gz \\ ${regions_file} \\ ${targets_file} \\ ${samples_file} \\ $args \\ --threads $task.cpus \\ ${vcf} cat <<-END_VERSIONS > versions.yml "${task.process}": bcftools: \$(bcftools --version 2>&1 | head -n1 | sed 's/^.*bcftools //; s/ .*\$//') END_VERSIONS """ |
47 48 49 50 51 52 53 54 | """ touch ${prefix}.vcf.gz cat <<-END_VERSIONS > versions.yml "${task.process}": bcftools: \$(bcftools --version 2>&1 | head -n1 | sed 's/^.*bcftools //; s/ .*\$//') END_VERSIONS """ |
28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 | """ $checkm_db checkm \\ lineage_wf \\ -t $task.cpus \\ -f ${prefix}.tsv \\ --tab_table \\ --pplacer_threads $task.cpus \\ -x $fasta_ext \\ $args \\ input_bins/ \\ $prefix cat <<-END_VERSIONS > versions.yml "${task.process}": checkm: \$( checkm 2>&1 | grep '...:::' | sed 's/.*CheckM v//;s/ .*//' ) END_VERSIONS """ |
28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 | """ checkm \\ qa \\ --threads ${task.cpus} \\ --file ${prefix}.${suffix} \\ $marker_file \\ $analysis_dir \\ $coverage \\ $exclude \\ $args cat <<-END_VERSIONS > versions.yml "${task.process}": checkm: \$( checkm 2>&1 | grep '...:::' | sed 's/.*CheckM v//;s/ .*//' ) END_VERSIONS """ |
24 25 26 27 28 29 30 31 32 33 34 35 | """ concoct_coverage_table.py \\ $args \\ $bed \\ $bamfiles \\ > ${prefix}.tsv cat <<-END_VERSIONS > versions.yml "${task.process}": concoct: \$(echo \$(concoct --version 2>&1) | sed 's/concoct //g' ) END_VERSIONS """ |
29 30 31 32 33 34 35 36 37 38 39 40 41 | """ concoct \\ $args \\ --threads ${task.cpus} \\ --coverage_file ${coverage_file} \\ --composition_file ${fasta} \\ -b ${prefix} cat <<-END_VERSIONS > versions.yml "${task.process}": concoct: \$(echo \$(concoct --version 2>&1) | sed 's/concoct //g' ) END_VERSIONS """ |
28 29 30 31 32 33 34 35 36 37 38 39 | """ cut_up_fasta.py \\ $fasta \\ $args \\ $bedfile \\ > ${prefix}.fasta cat <<-END_VERSIONS > versions.yml "${task.process}": concoct: \$(echo \$(concoct --version 2>&1) | sed 's/concoct //g' ) END_VERSIONS """ |
23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 | """ mkdir ${prefix} extract_fasta_bins.py \\ $args \\ $original_fasta \\ $csv \\ --output_path ${prefix} ## Add prefix to each file to disambiguate one sample's 1.fa, 2.fa from sample2 for i in ${prefix}/*.fa; do mv \${i} \${i/\\///${prefix}_} gzip \${i/\\///${prefix}_} done cat <<-END_VERSIONS > versions.yml "${task.process}": concoct: \$(echo \$(concoct --version 2>&1) | sed 's/concoct //g' ) END_VERSIONS """ |
24 25 26 27 28 29 30 31 32 33 34 | """ merge_cutup_clustering.py \\ $args \\ $clustering_csv \\ > ${prefix}.csv cat <<-END_VERSIONS > versions.yml "${task.process}": concoct: \$(echo \$(concoct --version 2>&1) | sed 's/concoct //g' ) END_VERSIONS """ |
44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 | """ $decompress_proteins $decompress_contigs DAS_Tool \\ $args \\ $proteins_pred \\ $db_dir \\ -t $task.cpus \\ -i $bin_list \\ -c $clean_contigs \\ -o $prefix cat <<-END_VERSIONS > versions.yml "${task.process}": dastool: \$( DAS_Tool --version 2>&1 | grep "DAS Tool" | sed 's/DAS Tool //' ) END_VERSIONS """ |
27 28 29 30 31 32 33 34 35 36 37 38 39 40 | """ $decompress_fasta Fasta_to_Contig2Bin.sh \\ $args \\ -i . \\ -e $file_extension \\ > ${prefix}.tsv cat <<-END_VERSIONS > versions.yml "${task.process}": dastool: \$( DAS_Tool --version 2>&1 | grep "DAS Tool" | sed 's/DAS Tool //' ) END_VERSIONS """ |
36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 | """ [ ! -f ${prefix}.fastq.gz ] && ln -sf $reads ${prefix}.fastq.gz fastp \\ --stdout \\ --in1 ${prefix}.fastq.gz \\ --thread $task.cpus \\ --json ${prefix}.fastp.json \\ --html ${prefix}.fastp.html \\ $adapter_list \\ $fail_fastq \\ $args \\ 2> ${prefix}.fastp.log \\ | gzip -c > ${prefix}.fastp.fastq.gz cat <<-END_VERSIONS > versions.yml "${task.process}": fastp: \$(fastp --version 2>&1 | sed -e "s/fastp //g") END_VERSIONS """ |
57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 | """ [ ! -f ${prefix}.fastq.gz ] && ln -sf $reads ${prefix}.fastq.gz fastp \\ --stdout \\ --in1 ${prefix}.fastq.gz \\ --out1 ${prefix}.fastp.fastq.gz \\ --thread $task.cpus \\ --json ${prefix}.fastp.json \\ --html ${prefix}.fastp.html \\ $adapter_list \\ $fail_fastq \\ $args \\ 2> ${prefix}.fastp.log cat <<-END_VERSIONS > versions.yml "${task.process}": fastp: \$(fastp --version 2>&1 | sed -e "s/fastp //g") END_VERSIONS """ |
79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 | """ [ ! -f ${prefix}_1.fastq.gz ] && ln -sf ${reads[0]} ${prefix}_1.fastq.gz [ ! -f ${prefix}_2.fastq.gz ] && ln -sf ${reads[1]} ${prefix}_2.fastq.gz fastp \\ --in1 ${prefix}_1.fastq.gz \\ --in2 ${prefix}_2.fastq.gz \\ --out1 ${prefix}_1.fastp.fastq.gz \\ --out2 ${prefix}_2.fastp.fastq.gz \\ --json ${prefix}.fastp.json \\ --html ${prefix}.fastp.html \\ $adapter_list \\ $fail_fastq \\ $merge_fastq \\ --thread $task.cpus \\ --detect_adapter_for_pe \\ $args \\ 2> ${prefix}.fastp.log cat <<-END_VERSIONS > versions.yml "${task.process}": fastp: \$(fastp --version 2>&1 | sed -e "s/fastp //g") END_VERSIONS """ |
28 29 30 31 32 33 34 35 36 37 38 | """ printf "%s %s\\n" $rename_to | while read old_name new_name; do [ -f "\${new_name}" ] || ln -s \$old_name \$new_name done fastqc $args --threads $task.cpus $renamed_files cat <<-END_VERSIONS > versions.yml "${task.process}": fastqc: \$( fastqc --version | sed -e "s/FastQC v//g" ) END_VERSIONS """ |
42 43 44 45 46 47 48 49 50 | """ touch ${prefix}.html touch ${prefix}.zip cat <<-END_VERSIONS > versions.yml "${task.process}": fastqc: \$( fastqc --version | sed -e "s/FastQC v//g" ) END_VERSIONS """ |
34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 | """ freebayes \\ -f $fasta \\ $targets_file \\ $samples_file \\ $populations_file \\ $cnv_file \\ $args \\ $input > ${prefix}.vcf bgzip ${prefix}.vcf cat <<-END_VERSIONS > versions.yml "${task.process}": freebayes: \$(echo \$(freebayes --version 2>&1) | sed 's/version:\s*v//g' ) END_VERSIONS """ |
22 23 24 25 26 27 28 29 | """ gunc download_db . -db $db_name $args cat <<-END_VERSIONS > versions.yml "${task.process}": gunc: \$( gunc --version ) END_VERSIONS """ |
25 26 27 28 29 30 31 32 33 34 35 36 37 | """ gunc \\ run \\ --input_fasta $fasta \\ --db_file $db \\ --threads $task.cpus \\ $args cat <<-END_VERSIONS > versions.yml "${task.process}": gunc: \$( gunc --version ) END_VERSIONS """ |
23 24 25 26 27 28 29 30 31 32 33 | """ gunzip \\ -f \\ $args \\ $archive cat <<-END_VERSIONS > versions.yml "${task.process}": gunzip: \$(echo \$(gunzip --version 2>&1) | sed 's/^.*(gzip) //; s/ Copyright.*\$//') END_VERSIONS """ |
37 38 39 40 41 42 43 | """ touch $gunzip cat <<-END_VERSIONS > versions.yml "${task.process}": gunzip: \$(echo \$(gunzip --version 2>&1) | sed 's/^.*(gzip) //; s/ Copyright.*\$//') END_VERSIONS """ |
31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 | """ mkdir input/ && mv $contigs input/ run_MaxBin.pl \\ -contig input/$contigs \\ $associate_files \\ -thread $task.cpus \\ $args \\ -out $prefix gzip *.fasta *.noclass *.tooshort *log *.marker cat <<-END_VERSIONS > versions.yml "${task.process}": maxbin2: \$( run_MaxBin.pl -v | head -n 1 | sed 's/MaxBin //' ) END_VERSIONS """ |
23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 | """ export OMP_NUM_THREADS=$task.cpus jgi_summarize_bam_contig_depths \\ --outputDepth ${prefix}.txt \\ $args \\ $bam bgzip --threads $task.cpus ${prefix}.txt cat <<-END_VERSIONS > versions.yml "${task.process}": metabat2: \$( metabat2 --help 2>&1 | head -n 2 | tail -n 1| sed 's/.*\\:\\([0-9]*\\.[0-9]*\\).*/\\1/' ) END_VERSIONS """ |
29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 | """ $decompress_depth metabat2 \\ $args \\ -i $fasta \\ $depth_file \\ -t $task.cpus \\ --saveCls \\ -o metabat2/${prefix} mv metabat2/${prefix} ${prefix}.tsv mv metabat2 bins gzip ${prefix}.tsv find ./bins/ -name "*.fa" -type f | xargs -t -n 1 bgzip -@ ${task.cpus} find ./bins/ -name "*[lowDepth,tooShort,unbinned].fa.gz" -type f -exec mv {} . \\; cat <<-END_VERSIONS > versions.yml "${task.process}": metabat2: \$( metabat2 --help 2>&1 | head -n 2 | tail -n 1| sed 's/.*\\:\\([0-9]*\\.[0-9]*\\).*/\\1/' ) END_VERSIONS """ |
27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 | """ pigz -cdf ${genome} | prodigal \\ $args \\ -f $output_format \\ -d "${prefix}.fna" \\ -o "${prefix}.${output_format}" \\ -a "${prefix}.faa" \\ -s "${prefix}_all.txt" cat <<-END_VERSIONS > versions.yml "${task.process}": prodigal: \$(prodigal -v 2>&1 | sed -n 's/Prodigal V\\(.*\\):.*/\\1/p') pigz: \$(pigz -V 2>&1 | sed 's/pigz //g') END_VERSIONS """ |
38 39 40 41 42 43 44 45 46 47 48 49 50 51 | """ prokka \\ $args \\ --cpus $task.cpus \\ --prefix $prefix \\ $proteins_opt \\ $prodigal_tf \\ $fasta cat <<-END_VERSIONS > versions.yml "${task.process}": prokka: \$(echo \$(prokka --version 2>&1) | sed 's/^.*prokka //') END_VERSIONS """ |
23 24 25 26 27 28 29 30 31 32 33 34 | """ pydamage \\ analyze \\ $args \\ -p $task.cpus \\ $bam cat <<-END_VERSIONS > versions.yml "${task.process}": pydamage: \$(echo \$(pydamage --version 2>&1) | sed -e 's/pydamage, version //g') END_VERSIONS """ |
23 24 25 26 27 28 29 30 31 32 33 34 | """ pydamage \\ filter \\ $args \\ $csv cat <<-END_VERSIONS > versions.yml "${task.process}": pydamage: \$(echo \$(pydamage --version 2>&1) | sed -e 's/pydamage, version //g') END_VERSIONS """ |
23 24 25 26 27 28 29 30 31 32 33 | """ samtools \\ faidx \\ $args \\ $fasta cat <<-END_VERSIONS > versions.yml "${task.process}": samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//') END_VERSIONS """ |
36 37 38 39 40 41 42 43 | """ touch ${fasta}.fai cat <<-END_VERSIONS > versions.yml "${task.process}": samtools: \$(echo \$(samtools --version 2>&1) | sed 's/^.*samtools //; s/Using.*\$//') END_VERSIONS """ |
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