diff --git a/bin/luciphor_parse.py b/bin/luciphor_parse.py index c5aaf52..77dbd85 100755 --- a/bin/luciphor_parse.py +++ b/bin/luciphor_parse.py @@ -97,7 +97,6 @@ def main(): labileptms, stabileptms, args.searchengine) if not msgfpsm.has_labileptms(): continue - print(psm) if args.searchengine == 'sage': scan = re.sub('.*scan=', '', psm[fields['SCANNR']]) else: diff --git a/containers.json b/containers.json index 91950a5..78ae30f 100644 --- a/containers.json +++ b/containers.json @@ -16,7 +16,7 @@ }, "openms": { "version": "3.3.0", - "docker": "quay.io/biocontainers/openms:openms:3.3.0--h0656172_8", + "docker": "quay.io/biocontainers/openms:3.3.0--h0656172_8", "singularity": "https://depot.galaxyproject.org/singularity/openms:3.3.0--h0656172_8" }, "dinosaur": { diff --git a/main.nf b/main.nf index e901be5..1407a90 100644 --- a/main.nf +++ b/main.nf @@ -242,7 +242,7 @@ process createNewSpectraLookup { container params.__containers[tag][workflow.containerEngine] input: - tuple val(setnames), file(mzmlfiles), val(platenames) + tuple val(setnames), path(mzmlfiles), val(platenames) output: path('target_db.sqlite') diff --git a/modules.nf b/modules.nf index 1aeafbe..5efd4dd 100644 --- a/modules.nf +++ b/modules.nf @@ -12,7 +12,7 @@ def get_field_nr_multi(fn, fieldnames) { } def get_complement_field_nr(fn, fieldname) { - /* return field nrs comma separated like: 1,2,5,9 */ + /* return field nrs NOT matching input, comma separated like: 1,2,5,9 */ return "\$(head -n1 ${fn} | tr '\\t' '\\n' | grep -vwn '^${fieldname}\$' | cut -f 1 -d':' | tr '\\n' ',' | sed 's/\\,\$//')" } diff --git a/workflows/msgf_perco.nf b/workflows/msgf_perco.nf index 3c354d1..947d475 100644 --- a/workflows/msgf_perco.nf +++ b/workflows/msgf_perco.nf @@ -43,7 +43,7 @@ process percolator { container params.__containers[tag][workflow.containerEngine] input: - tuple val(setname), path(mzids), path(tsvs), val(enzyme) + tuple val(setname), path(mzids), val(enzyme) output: tuple val(setname), path('perco.xml') @@ -128,7 +128,7 @@ workflow MSGFPERCO { .set { mzid_tsv_2psm } mzid_tsv_2psm - | map {it + [enzyme] } + | map {[it[0], it[1], enzyme] } | percolator | join(mzid_tsv_2psm) | map { it + [psmconflvl, pepconflvl, output_unfilt_psms] } diff --git a/workflows/sage_perco.nf b/workflows/sage_perco.nf index 984a770..3e8d575 100644 --- a/workflows/sage_perco.nf +++ b/workflows/sage_perco.nf @@ -1,4 +1,4 @@ -include { createMods; listify; get_field_nr; stripchars_infile; parse_isotype } from '../modules.nf' +include { createMods; listify; stripchars_infile; parse_isotype } from '../modules.nf' process sagePrepare {