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add recipe for EToKi
This PR adds EToKi, a toolkit used by Enterobase
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Package(s) built on Azure are ready for inspection:
Arch | Package | Zip File |
---|---|---|
noarch | etoki-1.2.2-hdfd78af_0.tar.bz2 | LinuxArtifacts |
You may also use conda
to install these after downloading and extracting the appropriate zip file. From the LinuxArtifacts or OSXArtifacts directories:
conda install -c packages <package name>
Docker image(s) built (images are in the LinuxArtifacts zip file above):
Package | Tag | Install with docker |
---|---|---|
etoki | 1.2.2--hdfd78af_0 | showgzip -dc LinuxArtifacts/images/etoki:1.2.2--hdfd78af_0.tar.gz | docker load |
@BiocondaBot please fetch artifacts
Package(s) built on Azure are ready for inspection:
Arch | Package | Zip File |
---|---|---|
noarch | etoki-1.2.2-hdfd78af_0.tar.bz2 | LinuxArtifacts |
You may also use conda
to install these after downloading and extracting the appropriate zip file. From the LinuxArtifacts or OSXArtifacts directories:
conda install -c packages <package name>
Docker image(s) built (images are in the LinuxArtifacts zip file above):
Package | Tag | Install with docker |
---|---|---|
etoki | 1.2.2--hdfd78af_0 | showgzip -dc LinuxArtifacts/images/etoki:1.2.2--hdfd78af_0.tar.gz | docker load |
@BiocondaBot please update
@BiocondaBot please fetch artifacts
Package(s) built on Azure are ready for inspection:
Arch | Package | Zip File |
---|---|---|
noarch | etoki-1.2.2-hdfd78af_0.tar.bz2 | LinuxArtifacts |
You may also use conda
to install these after downloading and extracting the appropriate zip file. From the LinuxArtifacts or OSXArtifacts directories:
conda install -c packages <package name>
Docker image(s) built (images are in the LinuxArtifacts zip file above):
Package | Tag | Install with docker |
---|---|---|
etoki | 1.2.2--hdfd78af_0 | showgzip -dc LinuxArtifacts/images/etoki:1.2.2--hdfd78af_0.tar.gz | docker load |
Testing
Conda
Build env
mamba clean -ay
mamba create -y -n test-etoki -c conda-forge -c bioconda \
bbmap blast bowtie2 bwa click curl diamond ete3 fasttree flye \
gatk kraken2 last megahit mmseqs2 nextpolish numba 'numpy==1.21.6' \
pandas perl-lyve-set piler-cr pilon psutil 'python>=3.6' rapidnj \
raxml raxml-ng samtools scikit-learn scipy simbac 'spades>=3.15' trf
conda activate test-etoki
unzip LinuxArtifacts.zip
conda install LinuxArtifacts/packages/noarch/etoki-1.2.2-hdfd78af_0.tar.bz2
Basic Usage
EToKi.py
usage: EToKi [-h] {configure,prepare,assemble,MLSTdb,MLSType,MLSTsum,cgMLST,align,phylo,EBEis,uberBlast,clust,isCRISPOL} ...
options:
-h, --help show this help message and exit
sub-commands:
{configure,prepare,assemble,MLSTdb,MLSType,MLSTsum,cgMLST,align,phylo,EBEis,uberBlast,clust,isCRISPOL}
configure install and/or configure 3rd party programs
prepare trim, collapse, downsize and rename the short reads.
assemble de novo or reference-guided assembly for genomic or metagenomic reads
MLSTdb Set up exemplar alleles and database for MLST schemes
MLSType MLST nomenclature using a local set of references
MLSTsum Summarise MLSType results and assign new allele designations
cgMLST Select a list of genes for the cgMLST scheme
align align multiple queried genomes to a single reference
phylo infer phylogeny and ancestral states from genomic alignments
EBEis in silico serotype prediction for Escherichia coli and Shigella spp.
uberBlast Use Blastn, uBlastp, minimap2 and/or mmseqs to identify similar sequences
clust linear-time clustering of short sequences using mmseqs linclust
isCRISPOL in silico prediction of CRISPOL array for Salmonella enterica serovar Typhimurium
EToKi.py configure --help
usage: EToKi.py configure [-h] [--install] [--usearch USEARCH] [--download_krakenDB] [--link_krakenDB KRAKEN_DATABASE] [--path PATH]
Install or modify the 3rd party programs.
options:
-h, --help show this help message and exit
--install install 3rd party programs
--usearch USEARCH usearch is required for ortho and MLSType. A 32-bit version of usearch can be downloaded from https://www.drive5.com/usearch/
--download_krakenDB When specified, miniKraken2 (8GB) will be downloaded into the EToKi folder. You can also use --link_krakenDB to use a pre-installed kraken2 database.
--link_krakenDB KRAKEN_DATABASE
Kraken is optional in the assemble module. You can specify your own database here
--path PATH, -p PATH Specify path to the 3rd party programs manually. Format: <program>=<path>. This parameter can be specified multiple times
Test default EToKi.py configure
2022-09-26 18:15:12.122535 bbduk ("/home/robert_petit/miniconda3/envs/test-etoki/bin/bbduk.sh") is present.
2022-09-26 18:15:12.130839 bbmerge ("/home/robert_petit/miniconda3/envs/test-etoki/bin/bbmerge.sh") is present.
2022-09-26 18:15:12.181474 blastn ("/home/robert_petit/miniconda3/envs/test-etoki/bin/blastn") is present.
2022-09-26 18:15:12.230572 blastp ("/home/robert_petit/miniconda3/envs/test-etoki/bin/blastp") is present.
2022-09-26 18:15:12.271949 bowtie2 ("/home/robert_petit/miniconda3/envs/test-etoki/bin/bowtie2") is present.
2022-09-26 18:15:12.318620 bowtie2build ("/home/robert_petit/miniconda3/envs/test-etoki/bin/bowtie2-build") is present.
2022-09-26 18:15:12.319847 bwa ("/home/robert_petit/miniconda3/envs/test-etoki/bin/bwa") is present.
2022-09-26 18:15:12.323165 diamond ("/home/robert_petit/miniconda3/envs/test-etoki/bin/diamond") is present.
2022-09-26 18:15:12.324410 fasttree ("/home/robert_petit/miniconda3/envs/test-etoki/bin/FastTreeMP") is present.
2022-09-26 18:15:12.408020 flye ("/home/robert_petit/miniconda3/envs/test-etoki/bin/flye") is present.
2022-09-26 18:15:12.427521 kraken2 ("/home/robert_petit/miniconda3/envs/test-etoki/bin/kraken2") is present.
2022-09-26 18:15:12.429789 lastal ("/home/robert_petit/miniconda3/envs/test-etoki/bin/lastal") is present.
2022-09-26 18:15:12.431609 lastdb ("/home/robert_petit/miniconda3/envs/test-etoki/bin/lastdb") is present.
2022-09-26 18:15:12.468261 makeblastdb ("/home/robert_petit/miniconda3/envs/test-etoki/bin/makeblastdb") is present.
2022-09-26 18:15:12.523270 megahit ("/home/robert_petit/miniconda3/envs/test-etoki/bin/megahit") is present.
2022-09-26 18:15:12.524415 minimap2 ("/home/robert_petit/miniconda3/envs/test-etoki/bin/minimap2") is present.
2022-09-26 18:15:12.527355 mmseqs ("/home/robert_petit/miniconda3/envs/test-etoki/bin/mmseqs") is present.
2022-09-26 18:15:12.588233 nextpolish ("/home/robert_petit/miniconda3/envs/test-etoki/bin/nextPolish") is present.
2022-09-26 18:15:12.590044 pilercr ("/home/robert_petit/miniconda3/envs/test-etoki/bin/pilercr") is present.
2022-09-26 18:15:12.882437 pilon ("/home/robert_petit/miniconda3/envs/test-etoki/share/pilon-1.24-0/pilon.jar") is present.
2022-09-26 18:15:12.884557 rapidnj ("/home/robert_petit/miniconda3/envs/test-etoki/bin/rapidnj") is present.
2022-09-26 18:15:12.886008 raxml ("/home/robert_petit/miniconda3/envs/test-etoki/bin/raxmlHPC") is present.
2022-09-26 18:15:12.888998 raxml_ng ("/home/robert_petit/miniconda3/envs/test-etoki/bin/raxml-ng") is present.
2022-09-26 18:15:12.896088 repair ("/home/robert_petit/miniconda3/envs/test-etoki/bin/repair.sh") is present.
2022-09-26 18:15:12.899773 samtools ("/home/robert_petit/miniconda3/envs/test-etoki/bin/samtools") is present.
2022-09-26 18:15:13.134708 spades ("/home/robert_petit/miniconda3/envs/test-etoki/bin/spades.py") is present.
2022-09-26 18:15:13.135828 trf ("/home/robert_petit/miniconda3/envs/test-etoki/bin/trf") is present.
2022-09-26 18:15:13.184846 usearch ("/home/robert_petit/miniconda3/envs/test-etoki/bin/blastp") is present.
2022-09-26 18:15:13.184928 WARNING - kraken_database is not present.
You can still use EToKi except the parameter "--kraken" in EToKi assemble will not work.
Alternatively you can download minikraken2 database using --download_krakenDB or pass an pre-installed database into EToKi using --link_krakenDB.
2022-09-26 18:15:13.186703 Configuration complete.
Looks good! Default paths are set
Try with examples from dev repo
Only showing outputs from a few commands
git clone [email protected]:zheminzhou/EToKi.git
cd EToKi/
EToKi.py prepare --pe examples/S_R1.fastq.gz,examples/S_R2.fastq.gz -p examples/prep_out
2022-09-26 18:22:07.954048 Load in 2 read files from 1 libraries
2022-09-26 18:22:09.839308 Obtained 3850621 bases in 21912 reads after Trimming in Lib 0
2022-09-26 18:22:09.948902 Remove potential barcode bases at the beginning 10 bps of reads in examples/prep_out.1.0.s.fastq.gz
--pe examples/prep_out_L1_R1.fastq.gz,examples/prep_out_L1_R2.fastq.gz --se examples/prep_out_L1_SE.fastq.gz
EToKi.py MLSTdb -i examples/Escherichia.Achtman.alleles.fasta -r examples/Escherichia.Achtman.references.fasta -d examples/Escherichia.Achtman.convert.tab
Invalid database read for database data file=./NS_j03nqo1o/seq.db_h, database index=./NS_j03nqo1o/seq.db_h.index
getData: local id (4294967295) >= db size (972)
2022-09-27 18:34:52.581666 Exemplar sequences in ./NS_srhxkr7h/clsFna.clust.exemplar
2022-09-27 18:34:52.581724 Clusters in ./NS_srhxkr7h/clsFna.clust.tab
2022-09-27 18:34:52.607550 Run BLASTn starts
2022-09-27 18:34:52.915525 Run BLASTn finishes. Got 970 alignments
2022-09-27 18:34:52.915681 Run diamond starts
2022-09-27 18:34:53.843997 Run diamond finishes. Got 967 alignments
2022-09-27 18:34:54.022393 removed 0 paralogous sites.
2022-09-27 18:34:54.022473 obtained 5530 alleles and 38 references alleles
2022-09-27 18:34:54.024636 A file of reference alleles has been generated: examples/Escherichia.Achtman.references.fasta
2022-09-27 18:34:54.062641 A lookup table of all alleles has been generated: examples/Escherichia.Achtman.convert.tab
EToKi.py clust -p examples/Escherichia.Achtman.alleles_clust -i examples/Escherichia.Achtman.alleles.fasta -d 0.95 -c 0.95
2022-09-27 18:36:07.622716 Exemplar sequences in examples/Escherichia.Achtman.alleles_clust.clust.exemplar
2022-09-27 18:36:07.622781 Clusters in examples/Escherichia.Achtman.alleles_clust.clust.tab
EToKi.py align -r GCF_000010485:examples/GCF_000010485.1_ASM1048v1_genomic.fna.gz -p examples/phylo_out \
> GCF_000005845:examples/GCF_000005845.2_ASM584v2_genomic.fna.gz \
> GCF_000214765:examples/GCF_000214765.2_ASM21476v3_genomic.fna.gz \
> GCF_001566635:examples/GCF_001566635.1_ASM156663v1_genomic.fna.gz
## Repetitive 99095
## 1 114832
## 2 149633
## 3 631841
# 4 3844282
{
"low_qual_map": {},
"mappings": {
"GCF_000005845": "examples/phylo_out.GCF_000005845.1.gff.gz",
"GCF_000010485": "examples/phylo_out.GCF_000010485.0.gff.gz",
"GCF_000214765": "examples/phylo_out.GCF_000214765.2.gff.gz",
"GCF_001566635": "examples/phylo_out.GCF_001566635.3.gff.gz"
},
"matrix": "examples/phylo_out.matrix.gz"
}
Everything looks good, now try with Docker
Docker
gzip -dc LinuxArtifacts/images/etoki:1.2.2--hdfd78af_0.tar.gz | docker load
Basic Usage
docker run --rm -u $(id -u):$(id -g) -v ${PWD}:/data quay.io/biocontainers/etoki:1.2.2--hdfd78af_0 EToKi.py
usage: EToKi [-h]
{configure,prepare,assemble,MLSTdb,MLSType,MLSTsum,cgMLST,align,phylo,EBEis,uberBlast,clust,isCRISPOL}
...
options:
-h, --help show this help message and exit
sub-commands:
{configure,prepare,assemble,MLSTdb,MLSType,MLSTsum,cgMLST,align,phylo,EBEis,uberBlast,clust,isCRISPOL}
configure install and/or configure 3rd party programs
prepare trim, collapse, downsize and rename the short reads.
assemble de novo or reference-guided assembly for genomic or
metagenomic reads
MLSTdb Set up exemplar alleles and database for MLST schemes
MLSType MLST nomenclature using a local set of references
MLSTsum Summarise MLSType results and assign new allele
designations
cgMLST Select a list of genes for the cgMLST scheme
align align multiple queried genomes to a single reference
phylo infer phylogeny and ancestral states from genomic
alignments
EBEis in silico serotype prediction for Escherichia coli and
Shigella spp.
uberBlast Use Blastn, uBlastp, minimap2 and/or mmseqs to
identify similar sequences
clust linear-time clustering of short sequences using mmseqs
linclust
isCRISPOL in silico prediction of CRISPOL array for Salmonella
enterica serovar Typhimurium
docker run --rm -u $(id -u):$(id -g) -v ${PWD}:/data quay.io/biocontainers/etoki:1.2.2--hdfd78af_0 EToKi.py configure
2022-09-27 18:40:08.875129 bbduk ("/usr/local/bin/bbduk.sh") is present.
2022-09-27 18:40:08.883779 bbmerge ("/usr/local/bin/bbmerge.sh") is present.
2022-09-27 18:40:08.936761 blastn ("/usr/local/bin/blastn") is present.
2022-09-27 18:40:08.982669 blastp ("/usr/local/bin/blastp") is present.
2022-09-27 18:40:09.029808 bowtie2 ("/usr/local/bin/bowtie2") is present.
2022-09-27 18:40:09.081023 bowtie2build ("/usr/local/bin/bowtie2-build") is present.
2022-09-27 18:40:09.082426 bwa ("/usr/local/bin/bwa") is present.
2022-09-27 18:40:09.086746 diamond ("/usr/local/bin/diamond") is present.
2022-09-27 18:40:09.088070 fasttree ("/usr/local/bin/FastTreeMP") is present.
2022-09-27 18:40:09.176993 flye ("/usr/local/bin/flye") is present.
2022-09-27 18:40:09.197672 kraken2 ("/usr/local/bin/kraken2") is present.
2022-09-27 18:40:09.200008 lastal ("/usr/local/bin/lastal") is present.
2022-09-27 18:40:09.202053 lastdb ("/usr/local/bin/lastdb") is present.
2022-09-27 18:40:09.236770 makeblastdb ("/usr/local/bin/makeblastdb") is present.
2022-09-27 18:40:09.296714 megahit ("/usr/local/bin/megahit") is present.
2022-09-27 18:40:09.298093 minimap2 ("/usr/local/bin/minimap2") is present.
2022-09-27 18:40:09.301458 mmseqs ("/usr/local/bin/mmseqs") is present.
2022-09-27 18:40:09.369408 nextpolish ("/usr/local/bin/nextPolish") is present.
2022-09-27 18:40:09.371536 pilercr ("/usr/local/bin/pilercr") is present.
2022-09-27 18:40:09.375018 ERROR - pilon ("/usr/local/share/pilon-1.24-0/pilon.jar") is not present.
2022-09-27 18:40:09.377006 rapidnj ("/usr/local/bin/rapidnj") is present.
2022-09-27 18:40:09.378588 raxml ("/usr/local/bin/raxmlHPC") is present.
2022-09-27 18:40:09.382549 raxml_ng ("/usr/local/bin/raxml-ng") is present.
2022-09-27 18:40:09.390484 repair ("/usr/local/bin/repair.sh") is present.
2022-09-27 18:40:09.392758 samtools ("/usr/local/bin/samtools") is present.
2022-09-27 18:40:09.665679 spades ("/usr/local/bin/spades.py") is present.
2022-09-27 18:40:09.666908 trf ("/usr/local/bin/trf") is present.
2022-09-27 18:40:09.714822 usearch ("/usr/local/bin/blastp") is present.
2022-09-27 18:40:09.714931 WARNING - kraken_database is not present.
You can still use EToKi except the parameter "--kraken" in EToKi assemble will not work.
Alternatively you can download minikraken2 database using --download_krakenDB or pass an pre-installed database into EToKi using --link_krakenDB.
Traceback (most recent call last):
File "/usr/local/bin/EToKi.py", line 49, in <module>
etoki()
File "/usr/local/bin/EToKi.py", line 43, in etoki
eval(arg.cmd)(sys.argv[2:])
File "/usr/local/share/etoki-1.2.2/modules/configure.py", line 424, in configure
write_configure(configs)
File "/usr/local/share/etoki-1.2.2/modules/configure.py", line 460, in write_configure
pd.DataFrame(configs).to_csv(EnConf_file, sep='=', index=False, header=False)
File "/usr/local/lib/python3.10/site-packages/pandas/util/_decorators.py", line 211, in wrapper
return func(*args, **kwargs)
File "/usr/local/lib/python3.10/site-packages/pandas/core/generic.py", line 3721, in to_csv
return DataFrameRenderer(formatter).to_csv(
File "/usr/local/lib/python3.10/site-packages/pandas/util/_decorators.py", line 211, in wrapper
return func(*args, **kwargs)
File "/usr/local/lib/python3.10/site-packages/pandas/io/formats/format.py", line 1189, in to_csv
csv_formatter.save()
File "/usr/local/lib/python3.10/site-packages/pandas/io/formats/csvs.py", line 241, in save
with get_handle(
File "/usr/local/lib/python3.10/site-packages/pandas/io/common.py", line 857, in get_handle
handle = open(
PermissionError: [Errno 13] Permission denied: '/usr/local/share/etoki-1.2.2/modules/configure.ini'
This error is ok, since the dependencies are already set.
Try with examples from dev repo
Only showing outputs from a few commands
git clone [email protected]:zheminzhou/EToKi.git
cd EToKi/
docker run --rm -u $(id -u):$(id -g) -v ${PWD}:/data quay.io/biocontainers/etoki:1.2.2--hdfd78af_0 EToKi.py prepare --pe /data/examples/S_R1.fastq.gz,/data/examples/S_R2.fastq.gz -p /data/examples/prep_out
2022-09-27 18:50:08.661691 Load in 2 read files from 1 libraries
2022-09-27 18:50:08.874634 Obtained 3868631 bases in 22002 reads after Trimming in Lib 0
--pe /data/examples/prep_out_L1_R1.fastq.gz,/data/examples/prep_out_L1_R2.fastq.gz
docker run --rm -u $(id -u):$(id -g) -v ${PWD}:/data quay.io/biocontainers/etoki:1.2.2--hdfd78af_0 EToKi.py MLSTdb -i /data/examples/Escherichia.Achtman.alleles.fasta -r /data/examples/Escherichia.Achtman.references.fasta -d /data/examples/Escherichia.Achtman.convert.tab
Traceback (most recent call last):
File "/usr/local/bin/EToKi.py", line 49, in <module>
etoki()
File "/usr/local/bin/EToKi.py", line 43, in etoki
eval(arg.cmd)(sys.argv[2:])
File "/usr/local/share/etoki-1.2.2/modules/MLSTdb.py", line 177, in MLSTdb
allele_text, refAlleles = buildReference(alleles, references, max_iden, min_iden, coverage, paralog, relaxEnd)
File "/usr/local/share/etoki-1.2.2/modules/MLSTdb.py", line 55, in buildReference
with tempfile.TemporaryDirectory(prefix='NS_', dir='.') as dirPath :
File "/usr/local/lib/python3.10/tempfile.py", line 819, in __init__
self.name = mkdtemp(suffix, prefix, dir)
File "/usr/local/lib/python3.10/tempfile.py", line 368, in mkdtemp
_os.mkdir(file, 0o700)
PermissionError: [Errno 13] Permission denied: './NS__njmbfw5'
So close, will need to patch it.
@BiocondaBot please fetch artifacts
Package(s) built on Azure are ready for inspection:
Arch | Package | Zip File |
---|---|---|
noarch | etoki-1.2.3-hdfd78af_0.tar.bz2 | LinuxArtifacts |
You may also use conda
to install these after downloading and extracting the appropriate zip file. From the LinuxArtifacts or OSXArtifacts directories:
conda install -c packages <package name>
Docker image(s) built (images are in the LinuxArtifacts zip file above):
Package | Tag | Install with docker |
---|---|---|
etoki | 1.2.3--hdfd78af_0 | showgzip -dc LinuxArtifacts/images/etoki:1.2.3--hdfd78af_0.tar.gz | docker load |
@BiocondaBot please fetch artifacts
Package(s) built on Azure are ready for inspection:
Arch | Package | Zip File |
---|---|---|
noarch | etoki-1.2.3-hdfd78af_0.tar.bz2 | LinuxArtifacts |
You may also use conda
to install these after downloading and extracting the appropriate zip file. From the LinuxArtifacts or OSXArtifacts directories:
conda install -c packages <package name>
Docker image(s) built (images are in the LinuxArtifacts zip file above):
Package | Tag | Install with docker |
---|---|---|
etoki | 1.2.3--hdfd78af_0 | showgzip -dc LinuxArtifacts/images/etoki:1.2.3--hdfd78af_0.tar.gz | docker load |
docker run --rm -u $(id -u):$(id -g) -v ${PWD}:/data quay.io/biocontainers/etoki:1.2.3--hdfd78af_0 EToKi.py MLSTdb -i /data/examples/Escherichia.Achtman.alleles.fasta -r /data/examples/Escherichia.Achtman.references.fasta -d /data/examples/Escherichia.Achtman.convert.tab
Invalid database read for database data file=/tmp/NS_t90lh45n/seq.db_h, database index=/tmp/NS_t90lh45n/seq.db_h.index
getData: local id (4294967295) >= db size (972)
2022-09-27 21:33:29.741924 Exemplar sequences in /tmp/NS_o696dkdz/clsFna.clust.exemplar
2022-09-27 21:33:29.741994 Clusters in /tmp/NS_o696dkdz/clsFna.clust.tab
2022-09-27 21:33:29.773625 Run BLASTn starts
2022-09-27 21:33:30.044658 Run BLASTn finishes. Got 970 alignments
2022-09-27 21:33:30.044811 Run diamond starts
2022-09-27 21:33:30.968038 Run diamond finishes. Got 967 alignments
2022-09-27 21:33:31.149411 removed 0 paralogous sites.
2022-09-27 21:33:31.149483 obtained 5530 alleles and 38 references alleles
2022-09-27 21:33:31.151609 A file of reference alleles has been generated: /data/examples/Escherichia.Achtman.references.fasta
2022-09-27 21:33:31.190645 A lookup table of all alleles has been generated: /data/examples/Escherichia.Achtman.convert.tab
We are good to go now
@BiocondaBot please add label
@BiocondaBot please merge
I will attempt to upload artifacts and merge this PR. This may take some time, please have patience.
Thank you!