diff --git a/software/muscle/functions.nf b/software/muscle/functions.nf new file mode 100644 index 00000000..da9da093 --- /dev/null +++ b/software/muscle/functions.nf @@ -0,0 +1,68 @@ +// +// Utility functions used in nf-core DSL2 module files +// + +// +// Extract name of software tool from process name using $task.process +// +def getSoftwareName(task_process) { + return task_process.tokenize(':')[-1].tokenize('_')[0].toLowerCase() +} + +// +// Function to initialise default values and to generate a Groovy Map of available options for nf-core modules +// +def initOptions(Map args) { + def Map options = [:] + options.args = args.args ?: '' + options.args2 = args.args2 ?: '' + options.args3 = args.args3 ?: '' + options.publish_by_meta = args.publish_by_meta ?: [] + options.publish_dir = args.publish_dir ?: '' + options.publish_files = args.publish_files + options.suffix = args.suffix ?: '' + return options +} + +// +// Tidy up and join elements of a list to return a path string +// +def getPathFromList(path_list) { + def paths = path_list.findAll { item -> !item?.trim().isEmpty() } // Remove empty entries + paths = paths.collect { it.trim().replaceAll("^[/]+|[/]+\$", "") } // Trim whitespace and trailing slashes + return paths.join('/') +} + +// +// Function to save/publish module results +// +def saveFiles(Map args) { + if (!args.filename.endsWith('.version.txt')) { + def ioptions = initOptions(args.options) + def path_list = [ ioptions.publish_dir ?: args.publish_dir ] + if (ioptions.publish_by_meta) { + def key_list = ioptions.publish_by_meta instanceof List ? ioptions.publish_by_meta : args.publish_by_meta + for (key in key_list) { + if (args.meta && key instanceof String) { + def path = key + if (args.meta.containsKey(key)) { + path = args.meta[key] instanceof Boolean ? "${key}_${args.meta[key]}".toString() : args.meta[key] + } + path = path instanceof String ? path : '' + path_list.add(path) + } + } + } + if (ioptions.publish_files instanceof Map) { + for (ext in ioptions.publish_files) { + if (args.filename.endsWith(ext.key)) { + def ext_list = path_list.collect() + ext_list.add(ext.value) + return "${getPathFromList(ext_list)}/$args.filename" + } + } + } else if (ioptions.publish_files == null) { + return "${getPathFromList(path_list)}/$args.filename" + } + } +} diff --git a/software/muscle/main.nf b/software/muscle/main.nf new file mode 100644 index 00000000..9f4747a4 --- /dev/null +++ b/software/muscle/main.nf @@ -0,0 +1,60 @@ +// Import generic module functions +include { initOptions; saveFiles; getSoftwareName } from './functions' + +params.options = [:] +options = initOptions(params.options) + +process MUSCLE { + tag "$meta.id" + label 'process_medium' + publishDir "${params.outdir}", + mode: params.publish_dir_mode, + saveAs: { filename -> saveFiles(filename:filename, options:params.options, publish_dir:getSoftwareName(task.process), meta:meta, publish_by_meta:['id']) } + + conda (params.enable_conda ? "bioconda::muscle=3.8.1551" : null) + if (workflow.containerEngine == 'singularity' && !params.singularity_pull_docker_container) { + container "https://depot.galaxyproject.org/singularity/muscle:3.8.1551--h7d875b9_6" + } else { + container "quay.io/biocontainers/muscle:3.8.1551--h7d875b9_6" + } + + input: + tuple val(meta), path(fasta) + + output: + tuple val(meta), path("*.afa") , optional: true, emit: aligned_fasta + tuple val(meta), path("*.phyi"), optional: true, emit: phyi + tuple val(meta), path("*.phys"), optional: true, emit: phys + tuple val(meta), path("*.clw") , optional: true, emit: clustalw + tuple val(meta), path("*.html"), optional: true, emit: html + tuple val(meta), path("*.msf") , optional: true, emit: msf + tuple val(meta), path("*.tree"), optional: true, emit: tree + path "*.log" , emit: log + path "*.version.txt" , emit: version + + script: + def software = getSoftwareName(task.process) + def prefix = options.suffix ? "${meta.id}${options.suffix}" : "${meta.id}" + def fasta_out = options.args.contains('-fasta') ? "-fastaout ${prefix}_muscle_msa.afa" : '' + def clw_out = options.args.contains('-clw') ? "-clwout ${prefix}_muscle_msa.clw" : '' + def msf_out = options.args.contains('-msf') ? "-msfout ${prefix}_muscle_msa.msf" : '' + def phys_out = options.args.contains('-phys') ? "-physout ${prefix}_muscle_msa.phys" : '' + def phyi_out = options.args.contains('-phyi') ? "-phyiout ${prefix}_muscle_msa.phyi" : '' + def html_out = options.args.contains('-html') ? "-htmlout ${prefix}_muscle_msa.html" : '' + def tree_out = options.args.contains('-maketree') ? "-out ${prefix}_muscle_msa.tree" : '' + + """ + muscle \\ + $options.args \\ + -in $fasta \\ + $fasta_out \\ + $clw_out \\ + $msf_out \\ + $phys_out \\ + $phyi_out \\ + $html_out \\ + $tree_out \\ + -loga muscle_msa.log + muscle -version | sed 's/^MUSCLE v//; s/by.*\$//' > ${software}.version.txt + """ +} diff --git a/software/muscle/meta.yml b/software/muscle/meta.yml new file mode 100644 index 00000000..e0eb5289 --- /dev/null +++ b/software/muscle/meta.yml @@ -0,0 +1,56 @@ +name: muscle +description: MUSCLE is a program for creating multiple alignments of amino acid or nucleotide sequences. A range of options are provided that give you the choice of optimizing accuracy, speed, or some compromise between the two +keywords: + - msa + - multiple sequence alignment +tools: + - muscle: + description: MUSCLE is a multiple sequence alignment tool with high accuracy and throughput + homepage: https://www.drive5.com/muscle + documentation: http://www.drive5.com/muscle/muscle.html#_Toc81224840 + doi: "https://pubmed.ncbi.nlm.nih.gov/15034147/" + licence: ['http://www.drive5.com/muscle/manual/license.html'] +input: + - fasta: + type: file + description: Input sequences for alignment must be in FASTA format + pattern: "*.{fasta,fa,fna}" +output: + - aligned_fasta: + type: file + description: Multiple sequence alignment produced in FASTA format + pattern: "*.{afa}" + - msf: + type: file + description: GCG Multiple Sequence File (MSF) alignment format (similar to CLUSTALW) + pattern: "*.{msf}" + - clustalw: + type: file + description: Multiple sequence alignment produced in ClustalW format without base/residue numbering + pattern: "*.{clw}" + - phyi: + type: file + description: Multiple sequence alignment produced in PHYLIP interleaved format + pattern: "*.{phyi}" + - phys: + type: file + description: Multiple sequence alignment produced in PHYLIP sequential format + pattern: "*.{phys}" + - html: + type: file + description: Multiple sequence alignment produced in HTML format + pattern: "*.{html}" + - tree: + type: file + description: NJ or UPGMA tree in Newick format produced from a multiple sequence alignment + pattern: "*.{tree}" + - log: + type: file + description: Log file of MUSCLE run + pattern: "*{.log}" + - version: + type: file + description: File containing MUSCLE software version + pattern: "*.{version.txt}" +authors: + - "@MGordon" diff --git a/tests/config/pytest_software.yml b/tests/config/pytest_software.yml index 2ec0478c..c1edd426 100644 --- a/tests/config/pytest_software.yml +++ b/tests/config/pytest_software.yml @@ -463,6 +463,10 @@ multiqc: - software/multiqc/** - tests/software/multiqc/** +muscle: + - software/muscle/** + - tests/software/muscle/** + nanolyse: - software/nanolyse/** - tests/software/nanolyse/** diff --git a/tests/software/muscle/main.nf b/tests/software/muscle/main.nf new file mode 100644 index 00000000..2119b0fa --- /dev/null +++ b/tests/software/muscle/main.nf @@ -0,0 +1,15 @@ +#!/usr/bin/env nextflow + +nextflow.enable.dsl = 2 + +include { MUSCLE } from '../../../software/muscle/main.nf' addParams( options: ['args': '-fasta -verbose -phys -phyi -maxiters 2']) +include { MUSCLE as MUSCLE_TREE } from '../../../software/muscle/main.nf' addParams( options: ['args': '-maketree']) + +workflow test_muscle { + + input = [ [ id:'test' ], // meta map + file(params.test_data['sarscov2']['genome']['informative_sites_fas'], checkIfExists: true) ] + + MUSCLE ( input ) + MUSCLE_TREE ( MUSCLE.out.aligned_fasta ) +} diff --git a/tests/software/muscle/test.yml b/tests/software/muscle/test.yml new file mode 100644 index 00000000..8f7db089 --- /dev/null +++ b/tests/software/muscle/test.yml @@ -0,0 +1,14 @@ +- name: muscle test_muscle + command: nextflow run tests/software/muscle -entry test_muscle -c tests/config/nextflow.config + tags: + - muscle + files: + - path: output/muscle/muscle_msa.log + - path: output/muscle/test_muscle_msa.afa + md5sum: 93732f6876054d82b0cd252d702c143f + - path: output/muscle/test_muscle_msa.phyi + md5sum: 1f2a246dcca53125456149770763d5d1 + - path: output/muscle/test_muscle_msa.phys + md5sum: 12f9dd45672a3d92ba1205fcc8010490 + - path: output/muscle/test_muscle_msa.tree + md5sum: 6bf1080bca2440f08ffa2675f74f732a