From cef359b03f2194e965edd1a6b75d9618e4db6f0a Mon Sep 17 00:00:00 2001 From: Eva Gunawan <124393795+evagunawan@users.noreply.github.com> Date: Tue, 10 Oct 2023 14:42:35 -0500 Subject: [PATCH 01/15] Updated Dockerfile Changed dockerfile.version to 2 as well as ARG DNAAPLER_VER to 0.2.0 --- dnaapler/0.1.0/Dockerfile | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/dnaapler/0.1.0/Dockerfile b/dnaapler/0.1.0/Dockerfile index 3c4eacac5..2211d91d9 100644 --- a/dnaapler/0.1.0/Dockerfile +++ b/dnaapler/0.1.0/Dockerfile @@ -4,11 +4,11 @@ USER root WORKDIR / -ARG DNAAPLER_VER="0.1.0" +ARG DNAAPLER_VER="0.2.0" # metadata labels LABEL base.image="mambaorg/micromamba:1.4.1" -LABEL dockerfile.version="1" +LABEL dockerfile.version="2" LABEL software="dnaapler" LABEL software.version="${DNAAPLER_VER}" LABEL description="Rotates chromosomes and more" From d5d0a52e5cd88eba1d41c86e736efcffff6655c3 Mon Sep 17 00:00:00 2001 From: Eva Gunawan <124393795+evagunawan@users.noreply.github.com> Date: Tue, 10 Oct 2023 14:44:46 -0500 Subject: [PATCH 02/15] Create Dockerfile --- dnaapler/0.2.0/Dockerfile | 1 + 1 file changed, 1 insertion(+) create mode 100644 dnaapler/0.2.0/Dockerfile diff --git a/dnaapler/0.2.0/Dockerfile b/dnaapler/0.2.0/Dockerfile new file mode 100644 index 000000000..8b1378917 --- /dev/null +++ b/dnaapler/0.2.0/Dockerfile @@ -0,0 +1 @@ + From 0e0a30a63fc5b50f558ccf39284672a0a1f43ac7 Mon Sep 17 00:00:00 2001 From: Eva Gunawan <124393795+evagunawan@users.noreply.github.com> Date: Tue, 10 Oct 2023 14:45:05 -0500 Subject: [PATCH 03/15] Update Dockerfile --- dnaapler/0.1.0/Dockerfile | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/dnaapler/0.1.0/Dockerfile b/dnaapler/0.1.0/Dockerfile index 2211d91d9..3c4eacac5 100644 --- a/dnaapler/0.1.0/Dockerfile +++ b/dnaapler/0.1.0/Dockerfile @@ -4,11 +4,11 @@ USER root WORKDIR / -ARG DNAAPLER_VER="0.2.0" +ARG DNAAPLER_VER="0.1.0" # metadata labels LABEL base.image="mambaorg/micromamba:1.4.1" -LABEL dockerfile.version="2" +LABEL dockerfile.version="1" LABEL software="dnaapler" LABEL software.version="${DNAAPLER_VER}" LABEL description="Rotates chromosomes and more" From b09016ae0eb4f6d7f32a125c184276344007e233 Mon Sep 17 00:00:00 2001 From: Eva Gunawan <124393795+evagunawan@users.noreply.github.com> Date: Tue, 10 Oct 2023 14:45:31 -0500 Subject: [PATCH 04/15] Update Dockerfile --- dnaapler/0.2.0/Dockerfile | 61 +++++++++++++++++++++++++++++++++++++++ 1 file changed, 61 insertions(+) diff --git a/dnaapler/0.2.0/Dockerfile b/dnaapler/0.2.0/Dockerfile index 8b1378917..2211d91d9 100644 --- a/dnaapler/0.2.0/Dockerfile +++ b/dnaapler/0.2.0/Dockerfile @@ -1 +1,62 @@ +FROM mambaorg/micromamba:1.4.1 as app +USER root + +WORKDIR / + +ARG DNAAPLER_VER="0.2.0" + +# metadata labels +LABEL base.image="mambaorg/micromamba:1.4.1" +LABEL dockerfile.version="2" +LABEL software="dnaapler" +LABEL software.version="${DNAAPLER_VER}" +LABEL description="Rotates chromosomes and more" +LABEL website="https://github.com/gbouras13/dnaapler" +LABEL license="MIT" +LABEL license.url="https://github.com/gbouras13/dnaapler/blob/main/LICENSE" +LABEL maintainer="Erin Young" +LABEL maintainer.email="eriny@utah.gov" + +# install dependencies; cleanup apt garbage +RUN apt-get update && apt-get install -y --no-install-recommends \ + wget \ + ca-certificates \ + procps && \ + apt-get autoclean && rm -rf /var/lib/apt/lists/* + +# create the conda environment, install mykrobe via bioconda package; cleanup conda garbage +RUN micromamba create -n dnaapler -y -c bioconda -c defaults -c conda-forge dnaapler=${DNAAPLER_VER} && \ + micromamba clean -a -y + +# set the PATH and LC_ALL for singularity compatibility +ENV PATH="/opt/conda/envs/dnaapler/bin/:${PATH}" \ + LC_ALL=C.UTF-8 + +# so that mamba/conda env is active when running below commands +ENV ENV_NAME="dnaapler" +ARG MAMBA_DOCKERFILE_ACTIVATE=1 + +# set final working directory as /data +WORKDIR /data + +# default command is to print help options +CMD [ "dnaapler", "--help" ] + +# new base for testing +FROM app as test + +# set working directory to /test +WORKDIR /test + +# so that mamba/conda env is active when running below commands +ENV ENV_NAME="dnaapler" +ARG MAMBA_DOCKERFILE_ACTIVATE=1 + +# downloads genome sequence and then extracts the last plasmid in the laziest way possible +RUN wget https://ftp.ncbi.nlm.nih.gov/genomes/all/GCA/025/259/185/GCA_025259185.1_ASM2525918v1/GCA_025259185.1_ASM2525918v1_genomic.fna.gz && \ + gunzip GCA_025259185.1_ASM2525918v1_genomic.fna.gz && \ + grep "CP104365.1" GCA_025259185.1_ASM2525918v1_genomic.fna -A 50000 > CP104365.1.fasta && \ + dnaapler mystery --prefix mystery_test --output mystery_test -i CP104365.1.fasta && \ + dnaapler plasmid --prefix plasmid_test --output plasmid_test -i CP104365.1.fasta && \ + ls mystery_test plasmid_test From 6c8855b9b344aff6b12c8c89dd9d55a4d32a3e24 Mon Sep 17 00:00:00 2001 From: Eva Gunawan <124393795+evagunawan@users.noreply.github.com> Date: Tue, 10 Oct 2023 14:46:18 -0500 Subject: [PATCH 05/15] Create README.md --- dnaapler/0.2.0/README.md | 41 ++++++++++++++++++++++++++++++++++++++++ 1 file changed, 41 insertions(+) create mode 100644 dnaapler/0.2.0/README.md diff --git a/dnaapler/0.2.0/README.md b/dnaapler/0.2.0/README.md new file mode 100644 index 000000000..9dde6b2c6 --- /dev/null +++ b/dnaapler/0.2.0/README.md @@ -0,0 +1,41 @@ +# dnaapler container + +Main tool : [dnappler](https://github.com/gbouras13/dnaapler) + +Additional tools: + +- [blast](https://blast.ncbi.nlm.nih.gov/Blast.cgi) 2.14.0 + +Full documentation: [https://github.com/gbouras13/dnaapler](https://github.com/gbouras13/dnaapler) + +> `dnaapler` is a simple python program that takes a single nucleotide input sequence (in FASTA format), finds the desired start gene using blastx against an amino acid sequence database, checks that the start codon of this gene is found, and if so, then reorients the chromosome to begin with this gene on the forward strand. + +dnaapler has several commands for chromosomes, plasmids, and more. + +``` +Usage: dnaapler [OPTIONS] COMMAND [ARGS]... + +Options: + -h, --help Show this message and exit. + -V, --version Show the version and exit. + +Commands: + chromosome Reorients your sequence to begin with the dnaA chromosomal... + citation Print the citation(s) for this tool + custom Reorients your sequence with a custom database + mystery Reorients your sequence with a random gene + phage Reorients your sequence to begin with the terL large... + plasmid Reorients your sequence to begin with the repA replication... +``` + +WARNING: Does not support multifasta files. Each sequence must be processed individually. + +## Example Usage + +```bash +# for a fasta of a chromsome sequence +dnaapler chromosome --input chromosome.fasta --output dnaapler_chr + +# for a fasta of a plasmid sequence +dnaapler plasmid --input plasmid.fasta --output dnaapler_plasmid +``` From 5d5587d4a77f52300c88a20a5e3fd1da34e8ee86 Mon Sep 17 00:00:00 2001 From: Eva Gunawan <124393795+evagunawan@users.noreply.github.com> Date: Wed, 11 Oct 2023 15:19:43 -0500 Subject: [PATCH 06/15] Update Dockerfile --- dnaapler/0.2.0/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/dnaapler/0.2.0/Dockerfile b/dnaapler/0.2.0/Dockerfile index 2211d91d9..121562089 100644 --- a/dnaapler/0.2.0/Dockerfile +++ b/dnaapler/0.2.0/Dockerfile @@ -8,7 +8,7 @@ ARG DNAAPLER_VER="0.2.0" # metadata labels LABEL base.image="mambaorg/micromamba:1.4.1" -LABEL dockerfile.version="2" +LABEL dockerfile.version="1" LABEL software="dnaapler" LABEL software.version="${DNAAPLER_VER}" LABEL description="Rotates chromosomes and more" From 01330a31327e7b9a57eb0fc5e7f7a9ee357ddcbd Mon Sep 17 00:00:00 2001 From: Eva Gunawan <124393795+evagunawan@users.noreply.github.com> Date: Thu, 9 Nov 2023 13:21:31 -0600 Subject: [PATCH 07/15] Create Dockerfile Updated to ver 0.12.2 --- mykrobe/0.12.2/Dockerfile | 127 ++++++++++++++++++++++++++++++++++++++ 1 file changed, 127 insertions(+) create mode 100644 mykrobe/0.12.2/Dockerfile diff --git a/mykrobe/0.12.2/Dockerfile b/mykrobe/0.12.2/Dockerfile new file mode 100644 index 000000000..2e6ba94a3 --- /dev/null +++ b/mykrobe/0.12.2/Dockerfile @@ -0,0 +1,127 @@ +FROM mambaorg/micromamba:0.27.0 as app + +# build and run as root users since micromamba image has 'mambauser' set as the $USER +USER root +# set workdir to default for building; set to /data at the end +WORKDIR / + +# ARG variables only persist during build time +ARG MYKROBE_VER="0.12.2" +ARG SONNEITYPING_VER="20210201" +# see below for why we aren't using this. Keeping as a comment for when we can switch to versioned releases +#ARG GENOTYPHI_VER="1.9.1" + +# metadata labels +LABEL base.image="mambaorg/micromamba:0.27.0" +LABEL dockerfile.version="1" +LABEL software="Mykrobe & Genotyphi & Sonneityping" +LABEL software.version=${MYKROBE_VER} +LABEL description="Conda environment for Mykrobe, particularly for Genotyphi" +LABEL website1="https://github.com/Mykrobe-tools/mykrobe" +LABEL license1="MIT" +LABEL license1.url="https://github.com/Mykrobe-tools/mykrobe/blob/master/LICENSE" +LABEL website2="https://github.com/katholt/genotyphi" +LABEL license2="GNU General Public License v3.0" +LABEL license2.url="https://github.com/katholt/genotyphi/blob/main/LICENSE" +LABEL website3="https://github.com/katholt/sonneityping/" +LABEL license3="GNU General Public License v3.0" +LABEL license3.url="https://github.com/katholt/sonneityping/blob/master/LICENSE.txt" +LABEL maintainer1="Curtis Kapsak" +LABEL maintainer1.email="kapsakcj@gmail.com" + +# install dependencies; cleanup apt garbage +RUN apt-get update && apt-get install -y --no-install-recommends \ + wget \ + ca-certificates \ + git \ + procps \ + jq && \ + apt-get autoclean && rm -rf /var/lib/apt/lists/* + +# get the genotyphi code; make /data +# cloning this commit: 98a6e9ccdf069bb86fcf41035b8c5fa92952aa9e +# url: https://github.com/katholt/genotyphi/commit/98a6e9ccdf069bb86fcf41035b8c5fa92952aa9e +# because genotyphi v1.9.1 does NOT include parse_typhi_mykrobe.py script for parsing mykrobe results +RUN git clone https://github.com/katholt/genotyphi.git && \ + cd genotyphi && \ + git checkout 98a6e9ccdf069bb86fcf41035b8c5fa92952aa9e && \ + chmod +x /genotyphi/parse_typhi_mykrobe.py && \ + mkdir -v /data + +# Get the sonneityping code +RUN wget https://github.com/katholt/sonneityping/archive/refs/tags/v${SONNEITYPING_VER}.tar.gz && \ + tar -xzf v${SONNEITYPING_VER}.tar.gz && \ + rm -vf v${SONNEITYPING_VER}.tar.gz && \ + mv -v sonneityping-${SONNEITYPING_VER}/ /sonneityping/ && \ + chmod +x /sonneityping/parse_mykrobe_predict.py + +# set the PATH and LC_ALL for singularity compatibility +ENV PATH="${PATH}:/opt/conda/envs/mykrobe/bin/:/genotyphi:/sonneityping" \ + LC_ALL=C.UTF-8 + +# create the conda environment, install mykrobe via bioconda package; cleanup conda garbage +# INSTALL PANDAS HERE INSTEAD +RUN micromamba create -n mykrobe -y -c conda-forge -c bioconda -c defaults \ + mykrobe=${MYKROBE_VER} \ + python \ + pip \ + pandas && \ + micromamba clean -a -y + +# so that mamba/conda env is active when running below commands +ENV ENV_NAME="mykrobe" +ARG MAMBA_DOCKERFILE_ACTIVATE=1 + +# get the latest databases (AKA "panels") +RUN mykrobe panels update_metadata && \ + mykrobe panels update_species all && \ + mykrobe panels describe + +WORKDIR /data + +# new base for testing +FROM app as test + +# so that mamba/conda env is active when running below commands +ENV ENV_NAME="mykrobe" +ARG MAMBA_DOCKERFILE_ACTIVATE=1 + +# test with TB FASTQs +RUN wget -O test_reads.fq.gz https://ndownloader.figshare.com/files/21059229 && \ + mykrobe predict -s SAMPLE -S tb -o out.json --format json -i test_reads.fq.gz && \ + cat out.json && \ + mykrobe panels describe && \ + mykrobe --version + + ### OUTPUT FROM mykrobe panels describe run on 2022-11-01: ### +# Species summary: + +# Species Update_available Installed_version Installed_url Latest_version Latest_url +# sonnei no 20210201 https://ndownloader.figshare.com/files/26274424 20210201 https://ndownloader.figshare.com/files/26274424 +# staph no 20201001 https://ndownloader.figshare.com/files/24914930 20201001 https://ndownloader.figshare.com/files/24914930 +# tb no 20201014 https://ndownloader.figshare.com/files/25103438 20201014 https://ndownloader.figshare.com/files/25103438 +# typhi no 20210323 https://ndownloader.figshare.com/files/28533549 20210323 https://ndownloader.figshare.com/files/28533549 + +# sonnei default panel: 20210201 +# sonnei panels: +# Panel Reference Description +# 20201012 NC_016822.1 Genotyping panel for Shigella sonnei based on scheme defined in Hawkey 2020, and panel for variants in the quinolone resistance determining regions in gyrA and parC +# 20210201 NC_016822.1 Genotyping panel for Shigella sonnei based on scheme defined in Hawkey 2020, and panel for variants in the quinolone resistance determining regions in gyrA and parC (same as 20201012, but with lineage3.7.30 added) + +# staph default panel: 20170217 +# staph panels: +# Panel Reference Description +# 20170217 BX571856.1 AMR panel described in Bradley, P et al. Rapid antibiotic-resistance predictions from genome sequence data for Staphylococcus aureus and Mycobacterium tuberculosis. Nat. Commun. 6:10063 doi: 10.1038/ncomms10063 (2015) + +# tb default panel: 202010 +# tb panels: +# Panel Reference Description +# 201901 NC_000962.3 AMR panel based on first line drugs from NEJM-2018 variants (DOI 10.1056/NEJMoa1800474), and second line drugs from Walker 2015 panel +# 202010 NC_000962.3 AMR panel based on first line drugs from NEJM-2018 variants (DOI 10.1056/NEJMoa1800474), second line drugs from Walker 2015 panel, and lineage scheme from Chiner-Oms 2020 +# bradley-2015 NC_000962.3 AMR panel described in Bradley, P et al. Rapid antibiotic-resistance predictions from genome sequence data for Staphylococcus aureus and Mycobacterium tuberculosis. Nat. Commun. 6:10063 doi: 10.1038/ncomms10063 (2015) +# walker-2015 NC_000962.3 AMR panel described in Walker, Timothy M et al. Whole-genome sequencing for prediction of Mycobacterium tuberculosis drug susceptibility and resistance: a retrospective cohort study. The Lancet Infectious Diseases , Volume 15 , Issue 10 , 1193 - 1202 + +# typhi default panel: 20210323 +# typhi panels: +# Panel Reference Description +# 20210323 AL513382.1 GenoTyphi genotyping scheme and AMR calling using Wong et al 2016 (https://doi.org/10.1038/ncomms12827) and updates as described in Dyson & Holt 2021 (https://doi.org/10.1101/2021.04.28.441766) From 8bee4ae8519811f375b91f69e50c096c45e2c7e6 Mon Sep 17 00:00:00 2001 From: Eva Gunawan <124393795+evagunawan@users.noreply.github.com> Date: Thu, 9 Nov 2023 13:24:05 -0600 Subject: [PATCH 08/15] Create README.md --- mykrobe/0.12.2/README.md | 100 +++++++++++++++++++++++++++++++++++++++ 1 file changed, 100 insertions(+) create mode 100644 mykrobe/0.12.2/README.md diff --git a/mykrobe/0.12.2/README.md b/mykrobe/0.12.2/README.md new file mode 100644 index 000000000..aa217f731 --- /dev/null +++ b/mykrobe/0.12.2/README.md @@ -0,0 +1,100 @@ +# Mykrobe (and genotyphi) docker image + +Main tool : [Mykrobe](https://github.com/Mykrobe-tools/mykrobe) + +Additional tools: + +- [genotyphi](https://github.com/katholt/genotyphi) 1.9.1 +- [sonneityping](https://github.com/katholt/sonneityping) v20210201 +- python 3.10.6 +- biopython 1.79 +- pandas + +Full documentation: [https://github.com/Mykrobe-tools/mykrobe/wiki](https://github.com/Mykrobe-tools/mykrobe/wiki) + +This docker image was created with the intention of running `genotyphi` on FASTQ files from Salmonella Typhi isolates using the Mykrobe implementation of `genotyphi`. However, this docker image contains the full (bio)conda environment for `mykrobe`, and thus can be used for other organisms as well (Mycobacterium tuberculosis, Staphylococcus aureus, Shigella sonnei) + +The docker image was also created with the intention of running Mykrobe on Shigella sonnei FASTQ files, and therefore includes the python script from `sonneityping` which can be used to parse the outputs of `mykrobe`. + +## Included Mykrobe databases (AKA panels) + +The docker image for Mykrobe was built on 2022-11-02, and thus contains the most recent database that was available at the time. + +```bash +### OUTPUT FROM mykrobe panels describe run on 2022-11-02: ### +$ mykrobe panels describe +# Species summary: + +# Species Update_available Installed_version Installed_url Latest_version Latest_url +# sonnei no 20210201 https://ndownloader.figshare.com/files/26274424 20210201 https://ndownloader.figshare.com/files/26274424 +# staph no 20201001 https://ndownloader.figshare.com/files/24914930 20201001 https://ndownloader.figshare.com/files/24914930 +# tb no 20220705 https://ndownloader.figshare.com/files/36197349 20220705 https://ndownloader.figshare.com/files/36197349 +# typhi no 20210323 https://ndownloader.figshare.com/files/28533549 20210323 https://ndownloader.figshare.com/files/28533549 + +# sonnei default panel: 20210201 +# sonnei panels: +# Panel Reference Description +# 20201012 NC_016822.1 Genotyping panel for Shigella sonnei based on scheme defined in Hawkey 2020, and panel for variants in the quinolone resistance determining regions in gyrA and parC +# 20210201 NC_016822.1 Genotyping panel for Shigella sonnei based on scheme defined in Hawkey 2020, and panel for variants in the quinolone resistance determining regions in gyrA and parC (same as 20201012, but with lineage3.7.30 added) + +# staph default panel: 20170217 +# staph panels: +# Panel Reference Description +# 20170217 BX571856.1 AMR panel described in Bradley, P et al. Rapid antibiotic-resistance predictions from genome sequence data for Staphylococcus aureus and Mycobacterium tuberculosis. Nat. Commun. 6:10063 doi: 10.1038/ncomms10063 (2015) + +# tb default panel: 202206 +# tb panels: +# Panel Reference Description +# 201901 NC_000962.3 AMR panel based on first line drugs from NEJM-2018 variants (DOI 10.1056/NEJMoa1800474), and second line drugs from Walker 2015 panel +# 202010 NC_000962.3 AMR panel based on first line drugs from NEJM-2018 variants (DOI 10.1056/NEJMoa1800474), second line drugs from Walker 2015 panel, and lineage scheme from Chiner-Oms 2020 +# 202206 NC_000962.3 AMR panel '202010' combined with the WHO 2021 catalogue (doi:10/h298 and doi:10/h299), and lineage scheme from Chiner-Oms 2020 +# bradley-2015 NC_000962.3 AMR panel described in Bradley, P et al. Rapid antibiotic-resistance predictions from genome sequence data for Staphylococcus aureus and Mycobacterium tuberculosis. Nat. Commun. 6:10063 doi: 10.1038/ncomms10063 (2015) +# walker-2015 NC_000962.3 AMR panel described in Walker, Timothy M et al. Whole-genome sequencing for prediction of Mycobacterium tuberculosis drug susceptibility and resistance: a retrospective cohort study. The Lancet Infectious Diseases , Volume 15 , Issue 10 , 1193 - 1202 + +# typhi default panel: 20210323 +# typhi panels: +# Panel Reference Description +# 20210323 AL513382.1 GenoTyphi genotyping scheme and AMR calling using Wong et al 2016 (https://doi.org/10.1038/ncomms12827) and updates as described in Dyson & Holt 2021 (https://doi.org/10.1101/2021.04.28.441766) +``` + +## Example Usage + +Following directions from here for running the `mykrobe` implementation of `genotyphi`: https://github.com/katholt/genotyphi#running-mykrobe + +### Salmonella serovar Typhi/genotyphi example + +```bash +# launch the container interactively +$ docker run --rm -v $PWD:/data -u $(id -u):$(id -g) -it staphb/mykrobe:0.12.1 + +# run genotyphi/mykrobe on Illumina reads from a Salmonella typhi isolate +$ mykrobe predict --sample SRR3277297 --species typhi --format json --out SRR3277297.genotyphi.json --seq SRR3277297_1.fastq.gz SRR3277297_2.fastq.gz + +# parse mykrobe output with helper script from genotyphi; generate TSV +$ python /genotyphi/parse_typhi_mykrobe.py --jsons SRR3277297.genotyphi.json --prefix mykrobe_out +SRR3277297 + +# print out results TSV +$ column -t -s, -n mykrobe_out_predictResults.tsv +genome species spp_percent final genotype confidence acrB_R717L acrB_R717Q num QRDR lowest support for genotype marker poorly supported markers max support for additional markers additional markers node support parC_S80R parC_S80I parC_E84G parC_E84K gyrA_S83F gyrA_S83Y gyrA_D87G gyrA_D87N gyrA_D87V gyrA_D87Y gyrB_S464F gyrB_S464Y catA1 dfrA7 sul1 sul2 strA strB mphA TEM1 qnrS1 ermB CTXM15 tetB tetA dfrA5 dfrA15 IncFIAHI1 IncHI1A IncHI1BR27 IncHI1_ST6 IncY z66 +SRR3277297 typhi 91.715 2.3.1 strong 0 0 1 1 (1; 0/69); 2 (1; 0/102); 2.2 (1; 134/0); 2.3 (1; 110/0); 2.3.2 (1; 82/0); 2.3.1 (1; 106/0) 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 +``` + +### Shigella sonnei/sonneityping example + +```bash +# launch the container interactively +$ docker run --rm -v $PWD:/data -u $(id -u):$(id -g) -it staphb/mykrobe:0.12.1 + +# run genotyphi/mykrobe on Illumina reads from a Salmonella typhi isolate +$ mykrobe predict --sample Ssonnei --species sonnei --format json_and_csv --out Ssonnei --seq shigella_sonnei_R1.fastq.gz shigella_sonnei.fastq.gz + +# parse mykrobe output JSON with helper script from sonneityping; must use alleles.txt file found inside docker container +# generate TSV output +$ python /sonneityping/parse_mykrobe_predict.py --jsons Ssonnei.json --alleles /sonneityping/alleles.txt --prefix sonneitypping-results + +# print out results TSV +$ column -t -s $'\t' -n sonneitypping-results.tsv +genome species final genotype name confidence num QRDR parC_S80I gyrA_S83L gyrA_S83A gyrA_D87G gyrA_D87N gyrA_D87Y lowest support for genotype marker poorly supported markers max support for additional markers additional markers node support +Ssonnei S. sonnei 3.6.1.1.2 CipR.MSM5 strong 3 1 1 0 1 0 0 lineage3 (1; 65/0); lineage3.6 (1; 94/0); lineage3.6.1 (1; 59/0); lineage3.6.1.1 (1; 74/0); lineage3.6.1.1.2 (1; 65/0) +``` From b151343a5714d89c99844d61171a458c7b19f1c7 Mon Sep 17 00:00:00 2001 From: Eva Gunawan <124393795+evagunawan@users.noreply.github.com> Date: Thu, 9 Nov 2023 13:31:03 -0600 Subject: [PATCH 09/15] Update README.md Updated to include dnaapler 0.2.0 --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index e5d6b0f1b..93dd0baf1 100644 --- a/README.md +++ b/README.md @@ -131,7 +131,7 @@ To learn more about the docker pull rate limits and the open source software pro | [colorid](https://hub.docker.com/r/staphb/colorid)
[![docker pulls](https://badgen.net/docker/pulls/staphb/colorid)](https://hub.docker.com/r/staphb/colorid) | | https://github.com/hcdenbakker/colorid | | [cutshaw-report-env](https://hub.docker.com/r/staphb/cutshaw-report-env)
[![docker pulls](https://badgen.net/docker/pulls/staphb/cutshaw-report-env)](https://hub.docker.com/r/staphb/cutshaw-report-env) | | https://github.com/VADGS/CutShaw | | [datasets-sars-cov-2](https://github.com/CDCgov/datasets-sars-cov-2)
[![docker pulls](https://badgen.net/docker/pulls/staphb/datasets-sars-cov-2)](https://hub.docker.com/r/staphb/datasets-sars-cov-2) | | https://github.com/CDCgov/datasets-sars-cov-2 | -| [dnaapler](https://hub.docker.com/r/staphb/dnaapler)
[![docker pulls](https://badgen.net/docker/pulls/staphb/dnaapler)](https://hub.docker.com/r/staphb/dnaapler) | | https://github.com/gbouras13/dnaapler | +| [dnaapler](https://hub.docker.com/r/staphb/dnaapler)
[![docker pulls](https://badgen.net/docker/pulls/staphb/dnaapler)](https://hub.docker.com/r/staphb/dnaapler) | | https://github.com/gbouras13/dnaapler | | [dragonflye](https://hub.docker.com/r/staphb/dragonflye)
[![docker pulls](https://badgen.net/docker/pulls/staphb/dragonflye)](https://hub.docker.com/r/staphb/dragonflye) | | https://github.com/rpetit3/dragonflye | | [DSK](https://hub.docker.com/r/staphb/dsk)
[![docker pulls](https://badgen.net/docker/pulls/staphb/dsk)](https://hub.docker.com/r/staphb/dsk) | | https://gatb.inria.fr/software/dsk/ | | [emboss](https://hub.docker.com/r/staphb/emboss)
[![docker pulls](https://badgen.net/docker/pulls/staphb/emboss)](https://hub.docker.com/r/staphb/emboss) | | http://emboss.sourceforge.net | From ba6548a6a38c05eadb0fd7358ada5596cd1b32ac Mon Sep 17 00:00:00 2001 From: Eva Gunawan <124393795+evagunawan@users.noreply.github.com> Date: Thu, 9 Nov 2023 13:40:07 -0600 Subject: [PATCH 10/15] Update README.md Updated to include correct genotyphi and new mykrobe --- mykrobe/0.12.2/README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mykrobe/0.12.2/README.md b/mykrobe/0.12.2/README.md index aa217f731..f574ade08 100644 --- a/mykrobe/0.12.2/README.md +++ b/mykrobe/0.12.2/README.md @@ -4,7 +4,7 @@ Main tool : [Mykrobe](https://github.com/Mykrobe-tools/mykrobe) Additional tools: -- [genotyphi](https://github.com/katholt/genotyphi) 1.9.1 +- [genotyphi](https://github.com/katholt/genotyphi) 2.0 - [sonneityping](https://github.com/katholt/sonneityping) v20210201 - python 3.10.6 - biopython 1.79 From 21b95edb0351feb872864be8d900dca75d228fb7 Mon Sep 17 00:00:00 2001 From: Eva Gunawan <124393795+evagunawan@users.noreply.github.com> Date: Thu, 9 Nov 2023 13:40:40 -0600 Subject: [PATCH 11/15] Update README.md Included updated mykrobe and genotyphi versions. --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 93dd0baf1..fc87634a2 100644 --- a/README.md +++ b/README.md @@ -181,7 +181,7 @@ To learn more about the docker pull rate limits and the open source software pro | [Mugsy](https://hub.docker.com/r/staphb/mugsy)
[![docker pulls](https://badgen.net/docker/pulls/staphb/mugsy)](https://hub.docker.com/r/staphb/mugsy) | | http://mugsy.sourceforge.net/ | | [MultiQC](https://hub.docker.com/r/staphb/multiqc)
[![docker pulls](https://badgen.net/docker/pulls/staphb/multiqc)](https://hub.docker.com/r/staphb/multiqc) | | https://github.com/ewels/MultiQC | | [Mummer](https://hub.docker.com/r/staphb/mummer)
[![docker pulls](https://badgen.net/docker/pulls/staphb/mummer)](https://hub.docker.com/r/staphb/mummer) | | https://github.com/mummer4/mummer | -| [Mykrobe + Genotyphi + sonneityping](https://hub.docker.com/r/staphb/mykrobe)
[![docker pulls](https://badgen.net/docker/pulls/staphb/mykrobe)](https://hub.docker.com/r/staphb/mykrobe) | | https://github.com/Mykrobe-tools/mykrobe
https://github.com/typhoidgenomics/genotyphi
https://github.com/katholt/sonneityping | +| [Mykrobe + Genotyphi + sonneityping](https://hub.docker.com/r/staphb/mykrobe)
[![docker pulls](https://badgen.net/docker/pulls/staphb/mykrobe)](https://hub.docker.com/r/staphb/mykrobe) | | https://github.com/Mykrobe-tools/mykrobe
https://github.com/typhoidgenomics/genotyphi
https://github.com/katholt/sonneityping | | [NanoPlot](https://hub.docker.com/r/staphb/nanoplot)
[![docker pulls](https://badgen.net/docker/pulls/staphb/nanoplot)](https://hub.docker.com/r/staphb/nanoplot) | | https://github.com/wdecoster/NanoPlot | | [ngmaster](https://hub.docker.com/r/staphb/ngmaster)
[![docker pulls](https://badgen.net/docker/pulls/staphb/ngmaster)](https://hub.docker.com/r/staphb/ngmaster) | | https://github.com/MDU-PHL/ngmaster | | [NCBI Datasets](https://hub.docker.com/r/staphb/ncbi-datasets)
[![docker pulls](https://badgen.net/docker/pulls/staphb/ncbi-datasets)](https://hub.docker.com/r/staphb/ncbi-datasets) |
Click to see all datasets versions **datasets versions** | [https://github.com/ncbi/datasets](https://github.com/ncbi/datasets)
[https://www.ncbi.nlm.nih.gov/datasets/docs/v1/](https://www.ncbi.nlm.nih.gov/datasets/docs/v1/) | From cbea3101a713ad2be4403ab13d9f23e4889870f5 Mon Sep 17 00:00:00 2001 From: Young Date: Mon, 13 Nov 2023 12:30:36 -0700 Subject: [PATCH 12/15] Updated to version 0.4.0 --- dnaapler/{0.2.0 => 0.4.0}/Dockerfile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) rename dnaapler/{0.2.0 => 0.4.0}/Dockerfile (98%) diff --git a/dnaapler/0.2.0/Dockerfile b/dnaapler/0.4.0/Dockerfile similarity index 98% rename from dnaapler/0.2.0/Dockerfile rename to dnaapler/0.4.0/Dockerfile index 121562089..0b17df5ad 100644 --- a/dnaapler/0.2.0/Dockerfile +++ b/dnaapler/0.4.0/Dockerfile @@ -4,7 +4,7 @@ USER root WORKDIR / -ARG DNAAPLER_VER="0.2.0" +ARG DNAAPLER_VER="0.4.0" # metadata labels LABEL base.image="mambaorg/micromamba:1.4.1" From efc5ec186fb9a453c9c84c5ee5796be59ef56c87 Mon Sep 17 00:00:00 2001 From: Young Date: Mon, 13 Nov 2023 12:30:57 -0700 Subject: [PATCH 13/15] Update to version 0.4.0 --- dnaapler/{0.2.0 => 0.4.0}/README.md | 0 1 file changed, 0 insertions(+), 0 deletions(-) rename dnaapler/{0.2.0 => 0.4.0}/README.md (100%) diff --git a/dnaapler/0.2.0/README.md b/dnaapler/0.4.0/README.md similarity index 100% rename from dnaapler/0.2.0/README.md rename to dnaapler/0.4.0/README.md From bb89ec19ac3eae206ea060f026732700eecd613b Mon Sep 17 00:00:00 2001 From: Young Date: Mon, 13 Nov 2023 12:31:29 -0700 Subject: [PATCH 14/15] Update README.md for dnaapler version 0.4.0 --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 80fdd3709..a9b69bd3e 100644 --- a/README.md +++ b/README.md @@ -134,7 +134,7 @@ To learn more about the docker pull rate limits and the open source software pro | [colorid](https://hub.docker.com/r/staphb/colorid)
[![docker pulls](https://badgen.net/docker/pulls/staphb/colorid)](https://hub.docker.com/r/staphb/colorid) |
  • 0.1.4.3
| https://github.com/hcdenbakker/colorid | | [cutshaw-report-env](https://hub.docker.com/r/staphb/cutshaw-report-env)
[![docker pulls](https://badgen.net/docker/pulls/staphb/cutshaw-report-env)](https://hub.docker.com/r/staphb/cutshaw-report-env) |
  • 1.0.0
| https://github.com/VADGS/CutShaw | | [datasets-sars-cov-2](https://github.com/CDCgov/datasets-sars-cov-2)
[![docker pulls](https://badgen.net/docker/pulls/staphb/datasets-sars-cov-2)](https://hub.docker.com/r/staphb/datasets-sars-cov-2) |
  • 0.6.2
  • 0.6.3
  • 0.7.2
| https://github.com/CDCgov/datasets-sars-cov-2 | -| [dnaapler](https://hub.docker.com/r/staphb/dnaapler)
[![docker pulls](https://badgen.net/docker/pulls/staphb/dnaapler)](https://hub.docker.com/r/staphb/dnaapler) |
  • [0.1.0](dnaapler/0.1.0/)
  • [0.2.0](dnaapler/0.2.0/)
| https://github.com/gbouras13/dnaapler | +| [dnaapler](https://hub.docker.com/r/staphb/dnaapler)
[![docker pulls](https://badgen.net/docker/pulls/staphb/dnaapler)](https://hub.docker.com/r/staphb/dnaapler) |
  • [0.1.0](dnaapler/0.1.0/)
  • [0.4.0](dnaapler/0.4.0/)
| https://github.com/gbouras13/dnaapler | | [dragonflye](https://hub.docker.com/r/staphb/dragonflye)
[![docker pulls](https://badgen.net/docker/pulls/staphb/dragonflye)](https://hub.docker.com/r/staphb/dragonflye) |
  • 1.0.14
  • [1.1.1](dragonflye/1.1.1/)
| https://github.com/rpetit3/dragonflye | | [DSK](https://hub.docker.com/r/staphb/dsk)
[![docker pulls](https://badgen.net/docker/pulls/staphb/dsk)](https://hub.docker.com/r/staphb/dsk) |
  • 0.0.100
| https://gatb.inria.fr/software/dsk/ | | [emboss](https://hub.docker.com/r/staphb/emboss)
[![docker pulls](https://badgen.net/docker/pulls/staphb/emboss)](https://hub.docker.com/r/staphb/emboss) |
  • 6.6.0 (no version)
| http://emboss.sourceforge.net | From 10ffabed78ec48a8e58e59c94210b4750a28c087 Mon Sep 17 00:00:00 2001 From: Young Date: Mon, 13 Nov 2023 12:36:11 -0700 Subject: [PATCH 15/15] Fixed labels --- mykrobe/0.12.2/Dockerfile | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/mykrobe/0.12.2/Dockerfile b/mykrobe/0.12.2/Dockerfile index 2e6ba94a3..feb4ce72d 100644 --- a/mykrobe/0.12.2/Dockerfile +++ b/mykrobe/0.12.2/Dockerfile @@ -17,17 +17,17 @@ LABEL dockerfile.version="1" LABEL software="Mykrobe & Genotyphi & Sonneityping" LABEL software.version=${MYKROBE_VER} LABEL description="Conda environment for Mykrobe, particularly for Genotyphi" -LABEL website1="https://github.com/Mykrobe-tools/mykrobe" -LABEL license1="MIT" -LABEL license1.url="https://github.com/Mykrobe-tools/mykrobe/blob/master/LICENSE" +LABEL website="https://github.com/Mykrobe-tools/mykrobe" +LABEL license="MIT" +LABEL license.url="https://github.com/Mykrobe-tools/mykrobe/blob/master/LICENSE" LABEL website2="https://github.com/katholt/genotyphi" LABEL license2="GNU General Public License v3.0" LABEL license2.url="https://github.com/katholt/genotyphi/blob/main/LICENSE" LABEL website3="https://github.com/katholt/sonneityping/" LABEL license3="GNU General Public License v3.0" LABEL license3.url="https://github.com/katholt/sonneityping/blob/master/LICENSE.txt" -LABEL maintainer1="Curtis Kapsak" -LABEL maintainer1.email="kapsakcj@gmail.com" +LABEL maintainer="Curtis Kapsak" +LABEL maintainer.email="kapsakcj@gmail.com" # install dependencies; cleanup apt garbage RUN apt-get update && apt-get install -y --no-install-recommends \