Configure foldseek pipeline for WES execution
- Update container image to harbor.cluster.omic.ai/omic/foldseek:latest - Update default paths to /omic/eureka/foldseek/ PVC mount paths - Add k8s profile with eureka-pvc storage - Remove stageInMode copy and containerOptions for k8s compatibility - Update params.json defaults to s3://omic/eureka/foldseek/ paths
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22
main.nf
22
main.nf
@@ -2,9 +2,9 @@
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nextflow.enable.dsl=2
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params.query = '/mnt/OmicNAS/private/old/olamide/foldseek/input/1CRN.pdb'
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params.target = '/mnt/OmicNAS/private/old/olamide/foldseek/input/'
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params.outdir = '/mnt/OmicNAS/private/old/olamide/foldseek/output/'
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params.query = '/omic/eureka/foldseek/input/1CRN.pdb'
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params.target = '/omic/eureka/foldseek/input/'
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params.outdir = '/omic/eureka/foldseek/output'
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params.mode = 'search'
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params.sensitivity = 9.5
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params.evalue = 0.001
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@@ -14,10 +14,8 @@ params.coverage = 0.0
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params.format_output = 'query,target,fident,alnlen,mismatch,gapopen,qstart,qend,tstart,tend,evalue,bits'
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process FOLDSEEK_SEARCH {
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container 'foldseek:latest'
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containerOptions '-v /mnt:/mnt'
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container 'harbor.cluster.omic.ai/omic/foldseek:latest'
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publishDir params.outdir, mode: 'copy'
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stageInMode 'copy'
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input:
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path query
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@@ -47,10 +45,8 @@ process FOLDSEEK_SEARCH {
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}
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process FOLDSEEK_CLUSTER {
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container 'foldseek:latest'
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containerOptions '-v /mnt:/mnt'
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container 'harbor.cluster.omic.ai/omic/foldseek:latest'
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publishDir params.outdir, mode: 'copy'
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stageInMode 'copy'
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input:
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path structures
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@@ -77,10 +73,8 @@ process FOLDSEEK_CLUSTER {
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"""
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}
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process FOLDSEEK_MULTIMER_SEARCH {
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container 'foldseek:latest'
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containerOptions '-v /mnt:/mnt'
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container 'harbor.cluster.omic.ai/omic/foldseek:latest'
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publishDir params.outdir, mode: 'copy'
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stageInMode 'copy'
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input:
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path query
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@@ -107,10 +101,8 @@ process FOLDSEEK_MULTIMER_SEARCH {
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}
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process FOLDSEEK_CREATEDB {
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container 'foldseek:latest'
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containerOptions '-v /mnt:/mnt'
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container 'harbor.cluster.omic.ai/omic/foldseek:latest'
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publishDir params.outdir, mode: 'copy'
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stageInMode 'copy'
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input:
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path structures
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