BGCFlow

BGCFlow is a systematic workflow for the analysis of biosynthetic gene clusters across large collections of genomes (pangenomes) from internal & public datasets.

At present, BGCFlow is only tested and confirmed to work on Linux systems with conda / mamba package manager.

Publication

Matin Nuhamunada, Omkar S. Mohite, Patrick V. Phaneuf, Bernhard O. Palsson, and Tilmann Weber. (2023). BGCFlow: Systematic pangenome workflow for the analysis of biosynthetic gene clusters across large genomic datasets. bioRxiv 2023.06.14.545018; doi: https://doi.org/10.1101/2023.06.14.545018

Pre-requisites

BGCFlow requires gcc and the conda/mamba package manager. See installation instruction for details.

Please use the latest version of BGCFlow available.

Quick Start

A quick and easy way to use BGCFlow using the command line interface wrapper:

1. Create a conda environment and install the BGCFlow python wrapper :

# create and activate a new conda environment
conda create -n bgcflow -c conda-forge python=3.11 pip openjdk -y # also install java for metabase
conda activate bgcflow

# install `BGCFlow` wrapper
pip install bgcflow_wrapper

# make sure to use bgcflow_wrapper version >= 0.2.7
bgcflow --version

2. Additional pre-requisites: With the environment activated, install or setup this configurations:

• Set conda channel priorities to flexible

conda config --set channel_priority disabled
conda config --describe channel_priority

3. Deploy and run BGCFlow, change your_bgcflow_directory variable accordingly:

# Deploy and run BGCFlow
bgcflow clone bgcflow # clone `BGCFlow` a directory named bgcflow
cd bgcflow # move to bgcflow directory
bgcflow init # initiate `BGCFlow` config and examples from template
bgcflow run -n # do a dry run, remove the flag "-n" to run the example dataset

4. Build and serve interactive report (after bgcflow run finished). The report will be served in http://localhost:8001/. A demo of the report is available here:

   

# build a report
bgcflow build report

# show available projects
bgcflow serve

# serve interactive report
bgcflow serve --project Lactobacillus_delbrueckii

• For detailed usage and configurations, have a look at the WIKI:

• Read more about bgcflow_wrapper for a detailed overview of the command line interface.

Workflow overview

The main Snakefile workflow comprises various pipelines for data selection, functional annotation, phylogenetic analysis, genome mining, and comparative genomics for Prokaryotic datasets.

Available pipelines in the main Snakefile can be checked using the following command:

bgcflow pipelines

List of Available Pipelines

Here you can find pipeline keywords that you can run using the main Snakefile of BGCflow.

	Keyword	Description	Links
0	eggnog	Annotate samples with eggNOG database (http://eggnog5.embl.de)	eggnog-mapper
1	mash	Calculate distance estimation for all samples using MinHash.	Mash
2	fastani	Do pairwise Average Nucleotide Identity (ANI) calculation across all samples.	FastANI
3	automlst-wrapper	Simplified Tree building using autoMLST	automlst-simplified-wrapper
4	roary	Build pangenome using Roary.	Roary
5	eggnog-roary	Annotate Roary output using eggNOG mapper	eggnog-mapper
6	seqfu	Calculate sequence statistics using SeqFu.	seqfu2
7	bigslice	Cluster BGCs using BiG-SLiCE (https://github.com/medema-group/bigslice)	bigslice
8	query-bigslice	Map BGCs to BiG-FAM database (https://bigfam.bioinformatics.nl/)	bigfam.bioinformatics.nl
9	checkm	Assess genome quality with CheckM.	CheckM
10	gtdbtk	Taxonomic placement with GTDB-Tk	GTDBTk
11	prokka-gbk	Copy annotated genbank results.	prokka
12	antismash	Summarizes antiSMASH result.	antismash
13	arts	Run Antibiotic Resistant Target Seeker (ARTS) on samples.	arts
14	deeptfactor	Use deep learning to find Transcription Factors.	deeptfactor
15	deeptfactor-roary	Use DeepTFactor on Roary outputs.	Roary
16	cblaster-genome	Build diamond database of genomes for cblaster search.	cblaster
17	cblaster-bgc	Build diamond database of BGCs for cblaster search.	cblaster
18	bigscape	Cluster BGCs using BiG-SCAPE	BiG-SCAPE
19	gecco	GEne Cluster prediction with COnditional random fields.	GECCO

Development & Funding

The development of BGCFlow commenced within the Natural Products Genome Mining research group at the Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark (DTU Biosustain). BGCFlow development was/is made possible through the generous support of various funding organizations:

• Novo Nordisk Foundation: BGCFlow development was supported by grants from the Novo Nordisk Foundation, specifically [NNF20CC0035580] and [NNF16OC0021746]. Matin Nuhamunada received support from the NNF Copenhagen Bioscience PhD Program: , grant [NNF20SA0035588].

• Danish National Research Foundation: Additional funding was provided by the Danish National Research Foundation for the Center for Microbial Secondary Metabolites (CeMiSt), under the grant [DNRF137].

References

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