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Fix HOME env for colabfold weight download, increase resources, use v3 tag

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Olamide Isreal
2026-03-26 17:46:41 +01:00
parent 844d34c04a
commit 4cd23d549b
3 changed files with 11 additions and 6 deletions
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6
main.nf
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@@ -13,7 +13,7 @@ params.temperature = 300
params.n_clusters = 5
process GENERATE_STRUCTURE_1 {
container 'harbor.cluster.omic.ai/omic/bioemu:v2'
container 'harbor.cluster.omic.ai/omic/bioemu:v3'
publishDir "${params.outdir}/${params.complex_name}/protein1", mode: 'copy'
input:
@@ -41,7 +41,7 @@ process GENERATE_STRUCTURE_1 {
}
process GENERATE_STRUCTURE_2 {
container 'harbor.cluster.omic.ai/omic/bioemu:v2'
container 'harbor.cluster.omic.ai/omic/bioemu:v3'
publishDir "${params.outdir}/${params.complex_name}/protein2", mode: 'copy'
input:
@@ -69,7 +69,7 @@ process GENERATE_STRUCTURE_2 {
}
process CALCULATE_BINDING {
container 'harbor.cluster.omic.ai/omic/bioemu:v2'
container 'harbor.cluster.omic.ai/omic/bioemu:v3'
publishDir "${params.outdir}/${params.complex_name}/analysis", mode: 'copy'
input: