diff --git a/main.nf b/main.nf index 6754e39..df62821 100644 --- a/main.nf +++ b/main.nf @@ -13,7 +13,7 @@ params.temperature = 300 params.n_clusters = 5 process GENERATE_STRUCTURE_1 { - container 'harbor.cluster.omic.ai/omic/bioemu:latest' + container 'harbor.cluster.omic.ai/omic/bioemu:v2' 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:latest' + container 'harbor.cluster.omic.ai/omic/bioemu:v2' 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:latest' + container 'harbor.cluster.omic.ai/omic/bioemu:v2' publishDir "${params.outdir}/${params.complex_name}/analysis", mode: 'copy' input: diff --git a/nextflow.config b/nextflow.config index 378784a..6bc3874 100644 --- a/nextflow.config +++ b/nextflow.config @@ -11,7 +11,7 @@ docker { } process { - container = 'harbor.cluster.omic.ai/omic/bioemu:latest' + container = 'harbor.cluster.omic.ai/omic/bioemu:v2' cpus = 2 memory = '8 GB' }