Mercurial > repos > dereeper > pangenome_explorer
diff Snakemake_files/Snakefile_wget_panacota_heatmap_upset_COG @ 3:e42d30da7a74 draft
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author | dereeper |
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date | Thu, 30 May 2024 11:52:25 +0000 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/Snakemake_files/Snakefile_wget_panacota_heatmap_upset_COG Thu May 30 11:52:25 2024 +0000 @@ -0,0 +1,180 @@ +import glob +import os +import shutil + +import yaml +configfile: "config.yaml" + + +SAMPLES = [] +with open("config.yaml", "r") as yaml_file: + genome_data = yaml.safe_load(yaml_file) + if "ids" in genome_data.keys(): + for id in genome_data["ids"]: + SAMPLES.append(id) + if "input_genbanks" in genome_data.keys(): + for gb_path in genome_data["input_genbanks"]: + cmd = "grep 'ACCESSION' "+gb_path + returned_value = subprocess.getoutput(cmd) + words = returned_value.split() + name = words[1] + #words = returned_value.split() + #SAMPLES.append(words[1]) + words = gb_path.split("/") + genbank_file_name = words[-1] + x = genbank_file_name.replace(".", "_") + cmd = "sed -i 's/ACCESSION "+name+"/ACCESSION "+x+"/g' "+gb_path + subprocess.getoutput(cmd) + + cmd_locus = "grep 'LOCUS' "+gb_path + returned_value = subprocess.getoutput(cmd_locus) + words_locus = returned_value.split() + name_locus = words_locus[1] + cmd = "sed -i 's/LOCUS "+name_locus+"/LOCUS "+x+"/' "+gb_path + subprocess.getoutput(cmd) + + cmd = "grep 'ACCESSION' "+gb_path + returned_value = subprocess.getoutput(cmd) + words = returned_value.split() + SAMPLES.append(words[1]) + + +rule final: + input: + "outputs/GCskew.txt", + "outputs/pav_matrix.tsv", + "outputs/heatmap.svg.gz", + "outputs/cog_output.txt", + "outputs/fastani.out", + "outputs/rarefaction_curves.txt" + + +rule ncbi_datasets: + input: + "config.yaml" + output: + expand("outputs/genomes/{sample}.fasta", sample=SAMPLES), + expand("outputs/genomes/{sample}.gb", sample=SAMPLES), + expand("outputs/genomes/{sample}.prt", sample=SAMPLES), + genomes="outputs/genomes/genomes.txt" + shell: + """ + perl $PANEX_PATH/Perl/get_data.pl {input} outputs/genomes + """ + + +rule gcskew: + input: + "outputs/genomes/{sample}.fasta" + output: + "outputs/genomes/{sample}.fasta.gcskew.txt" + shell: + """ + python3 $PANEX_PATH/SkewIT/src/gcskew.py -i {input} -o {input}.gcskew.txt -k 1000 -w 1000 + """ + +rule concat_gcskew: + input: + expand("outputs/genomes/{sample}.fasta.gcskew.txt", sample=SAMPLES) + output: + out2="outputs/GCskew.txt" + shell: + """ + cat {input} >>{output.out2} + """ + +rule genbank2gff3: + input: + "outputs/genomes/{sample}.gb" + output: + gff1="outputs/genomes/{sample}.gb.gff", + gff2="outputs/genomes/{sample}.gb.rmdup.gff" + shell: + """ + perl $PANEX_PATH/Perl/bp_genbank2gff3.pl -o outputs/genomes {input} + perl $PANEX_PATH/Perl/remove_duplicates_in_gff.pl {output.gff1} {output.gff2} + """ + +rule panacota: + input: + expand("outputs/genomes/{sample}.prt", sample=SAMPLES), + expand("outputs/genomes/{sample}.gb.gff", sample=SAMPLES) + output: + pav="outputs/panacota/PanGenome-mydataset.All.prt.lst" + params: + identity=80 + shell: + """ + cat outputs/genomes/*prt >outputs/genomes/mydataset.All.prt + PanACoTA pangenome -i 0.{params.identity} -l outputs/genomes/mydataset.All.prt -n mydataset -d outputs/genomes -o outputs/panacota + mv outputs/panacota/PanGenome-mydataset.All.prt-clust-*-mode1.lst {output} + """ + +rule convert_matrix: + input: + pav="outputs/panacota/PanGenome-mydataset.All.prt.lst" + output: + "outputs/pav_matrix.tsv" + shell: + """ + perl $PANEX_PATH/Perl/ConvertPanacotaMatrix.pl outputs/genomes {input} {output} outputs/genomes/strains.txt + """ + + +rule cog: + input: + pav="outputs/pav_matrix.tsv" + output: + cog="outputs/cog_output.txt", + cogstat="outputs/cog_stats.txt", + cogstat2="outputs/cog_stats2.txt", + cogofclusters="outputs/cog_of_clusters.txt" + shell: + """ + perl $PANEX_PATH/Perl/GetCogOfCluster.pl {input} outputs/genomes {output.cog} {output.cogstat} {output.cogstat2} {output.cogofclusters} outputs/genomes/strains.txt + """ + +rule heatmap_upset: + input: + pav="outputs/pav_matrix.tsv" + output: + heatmap="outputs/heatmap.svg.gz", + html="outputs/heatmap.svg.heatmap_plotly.html", + upsetr="outputs/upsetr.svg", + binpav="outputs/heatmap.svg.pangenes_01matrix.txt" + shell: + """ + perl $PANEX_PATH/Perl/GenerateHeatmapFromPAV.pl {input.pav} outputs/heatmap.svg + mv outputs/heatmap.svg.upsetr.svg {output.upsetr} + """ + +rule micropan: + input: + binpav="outputs/heatmap.svg.pangenes_01matrix.txt" + output: + txt="outputs/rarefaction_curves.txt", + pdf="outputs/rarefaction_curves.pdf", + svg="outputs/rarefaction_curves.svg", + heaps="outputs/heaps.tsv" + shell: + """ + Rscript $PANEX_PATH/R/micropan_rarefaction.R -f {input.binpav} -p {output.pdf} -a {output.heaps} -o {output.txt} + pdf2svg {output.pdf} {output.svg} + """ + +rule fastani: + input: + "outputs/genomes/genomes.txt" + output: + out="outputs/fastani.out", + matrix="outputs/fastani.out.matrix", + completematrix="outputs/fastani.out.matrix.complete", + pdf="outputs/fastani.out.pdf", + svg="outputs/fastani.out.svg" + shell: + """ + fastANI --rl {input} --ql {input} -o {output.out} -t 4 --matrix + perl $PANEX_PATH/Perl/convertANI.pl {output.matrix} outputs/genomes/genomes2.txt >{output.completematrix} + Rscript $PANEX_PATH/R/heatmap_ani.R -f {output.completematrix} -o {output.pdf} + pdf2svg {output.pdf} {output.svg} + """