Configure propka pipeline for WES/k8s execution
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- Update container reference to harbor.cluster.omic.ai/omic/propka:latest
- Add k8s profile to nextflow.config matching reference tool pattern
- Update params.json with s3://omic/eureka/propka/ paths
- Add stageInMode 'copy' to process definition
- Set params defaults to null for WES compatibility
This commit is contained in:
2026-03-24 21:03:07 +01:00
parent 1c6d9582d0
commit 8dd0ef8d6a
3 changed files with 31 additions and 30 deletions

13
main.nf
View File

@@ -2,22 +2,23 @@
nextflow.enable.dsl=2
params.pdb = "/mnt/OmicNAS/private/old/olamide/propka/input/1HPX.pdb"
params.outdir = "/mnt/OmicNAS/private/old/olamide/propka/output"
params.pdb = null
params.outdir = null
params.ph = 7.0
params.options = ""
process PROPKA {
container 'propka:latest'
container 'harbor.cluster.omic.ai/omic/propka:latest'
publishDir params.outdir, mode: 'copy'
stageInMode 'copy'
input:
path pdb
output:
path "${pdb.baseName}.pka", emit: pka_file
path "run.log"
script:
"""
propka3 ${params.options} --pH ${params.ph} ${pdb} 2>&1 | tee run.log