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
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@@ -1,7 +1,7 @@
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// Manifest for Nextflow metadata
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manifest {
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name = 'PROPKA-Nextflow'
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author = 'Generated from PROPKA repository'
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author = 'Olamide'
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homePage = 'https://github.com/jensengroup/propka'
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description = 'Nextflow pipeline for PROPKA - Empirical pKa prediction for proteins and protein-ligand complexes'
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mainScript = 'main.nf'
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@@ -10,16 +10,24 @@ manifest {
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// Global default parameters
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params {
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pdb = "/mnt/OmicNAS/private/old/olamide/propka/input/1HPX.pdb"
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outdir = "/mnt/OmicNAS/private/old/olamide/propka/output"
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pdb = null
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outdir = null
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ph = 7.0
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options = ""
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}
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// Container configurations
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docker {
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enabled = true
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runOptions = ''
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profiles {
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standard {
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docker {
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enabled = true
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runOptions = '--rm'
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}
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}
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k8s {
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process {
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container = 'harbor.cluster.omic.ai/omic/propka:latest'
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}
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}
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}
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// Process configurations
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@@ -27,11 +35,3 @@ process {
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cpus = 1
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memory = '4 GB'
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}
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// Execution configurations
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executor {
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$local {
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cpus = 2
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memory = '4 GB'
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}
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}
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