diff --git a/conf/modules_alphafold2.config b/conf/modules_alphafold2.config index abf107b8..5ae05c26 100644 --- a/conf/modules_alphafold2.config +++ b/conf/modules_alphafold2.config @@ -55,16 +55,38 @@ process { ].join(' ').trim() publishDir = [ [ - path: { "${params.outdir}/alphafold2/${params.alphafold2_mode}/${meta.id}" }, + path: { "${params.outdir}/${meta.model}/${params.alphafold2_mode}/${meta.id}/base_program_output" }, mode: 'copy', - saveAs: { filename -> - if(filename.endsWith('_pae.tsv')){ + pattern: '*.pkl', + enabled: params.save_base_output, + ], + [ + path: { "${params.outdir}/${meta.model}/${params.alphafold2_mode}/${meta.id}/base_program_output" }, + mode: 'copy', + pattern: '*.json', + enabled: params.save_base_output, + ], + [ + path: { "${params.outdir}/${meta.model}/${params.alphafold2_mode}/${meta.id}/base_program_output" }, + mode: 'copy', + pattern: '*.pdb', + enabled: params.save_base_output, + ], + [ + path: { "${params.outdir}/${meta.model}/${params.alphafold2_mode}/${meta.id}/base_program_output" }, + mode: 'copy', + pattern: '*.{a3m,sto}', + enabled: params.save_base_output, + ], + [ + path: { "${params.outdir}/${meta.model}/${params.alphafold2_mode}/${meta.id}/proteinfold_reporting" }, + mode: 'copy', + pattern: '*_{plddt,msa,ptm,iptm,pae}.tsv', + saveAs : { filename -> + if(filename.endsWith('_pae.tsv')){ "paes/$filename" - } else if(filename.equals('versions.yml')){ - null - } else { filename } - }, - pattern: '*.*' + } else { filename } + }, ], [ path: { "${params.outdir}/alphafold2/${params.alphafold2_mode}/top_ranked_structures" }, diff --git a/nextflow.config b/nextflow.config index 24ef5c55..06f6552f 100644 --- a/nextflow.config +++ b/nextflow.config @@ -224,6 +224,7 @@ params { // Boilerplate options outdir = null publish_dir_mode = 'copy' + save_base_output = false email = null email_on_fail = null plaintext_email = false