diff --git a/docs/usage.md b/docs/usage.md index 02515de5..9544d587 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -41,27 +41,27 @@ The typical commands for running the pipeline on AlphaFold2, Colabfold and ESMFo ```csv title="samplesheet.csv" nextflow run nf-core/proteinfold \ - --input samplesheet.csv \ - --outdir \ - --mode alphafold2 \ - --alphafold2_db \ - --full_dbs \ - --alphafold2_model_preset monomer \ - --use_gpu \ - -profile + --input samplesheet.csv \ + --outdir \ + --mode alphafold2 \ + --alphafold2_db \ + --full_dbs \ + --alphafold2_model_preset monomer \ + --use_gpu \ + -profile ``` ```console nextflow run nf-core/proteinfold \ - --input samplesheet.csv \ - --outdir \ - --mode alphafold2 \ - --alphafold2_mode split_msa_prediction \ - --alphafold2_db \ - --full_dbs \ - --alphafold2_model_preset monomer \ - --use_gpu \ - -profile + --input samplesheet.csv \ + --outdir \ + --mode alphafold2 \ + --alphafold2_mode split_msa_prediction \ + --alphafold2_db \ + --full_dbs \ + --alphafold2_model_preset monomer \ + --use_gpu \ + -profile ``` If you specify the `--alphafold2_db ` parameter, the directory structure of your path should be like this: @@ -233,7 +233,7 @@ nextflow run nf-core/proteinfold \ --colabfold_model_preset "AlphaFold2-ptm" \ --use_gpu \ --db_load_mode 0 - -profile + -profile ``` ```console @@ -248,7 +248,7 @@ nextflow run nf-core/proteinfold \ --use_amber \ --colabfold_model_preset "AlphaFold2-ptm" \ --use_gpu \ - -profile + -profile ``` If you specify the `--colabfold_db ` parameter, the directory structure of your path should be like this: @@ -395,7 +395,7 @@ nextflow run nf-core/proteinfold \ --num_recycles 4 \ --esmfold_model_preset \ --use_gpu \ - -profile + -profile ``` If you specify the `--esmfold_db ` parameter, the directory structure of your path should be like this: diff --git a/nextflow.config b/nextflow.config index bc64cd61..1017d5bd 100644 --- a/nextflow.config +++ b/nextflow.config @@ -168,8 +168,8 @@ profiles { docker { docker.enabled = true docker.userEmulation = true - if (params.use_gpu) { - docker.runOptions = '--gpus all' + if (params.use_gpu) { + docker.runOptions = '--gpus all' } else { docker.runOptions = '-u $(id -u):$(id -g)' } diff --git a/subworkflows/local/prepare_alphafold2_dbs.nf b/subworkflows/local/prepare_alphafold2_dbs.nf index d17a6d1f..c085d6f4 100644 --- a/subworkflows/local/prepare_alphafold2_dbs.nf +++ b/subworkflows/local/prepare_alphafold2_dbs.nf @@ -120,7 +120,7 @@ workflow PREPARE_ALPHAFOLD2_DBS { ch_version = ch_versions.mix(COMBINE_UNIPROT.out.versions) } - emit: + emit: bfd = ch_bfd small_bfd = ch_small_bfd params = ch_params diff --git a/subworkflows/local/prepare_colabfold_dbs.nf b/subworkflows/local/prepare_colabfold_dbs.nf index 33155c46..fd189f3c 100644 --- a/subworkflows/local/prepare_colabfold_dbs.nf +++ b/subworkflows/local/prepare_colabfold_dbs.nf @@ -11,7 +11,7 @@ include { MMSEQS_TSV2EXPROFILEDB as MMSEQS_TSV2EXPROFILEDB_COLABFOLDDB } from '. include { MMSEQS_TSV2EXPROFILEDB as MMSEQS_TSV2EXPROFILEDB_UNIPROT30 } from '../../modules/nf-core/mmseqs/tsv2exprofiledb/main' workflow PREPARE_COLABFOLD_DBS { - main: + main: ch_params = Channel.empty() ch_colabfold_db = Channel.empty() ch_uniref30 = Channel.empty() @@ -72,7 +72,7 @@ workflow PREPARE_COLABFOLD_DBS { } } - emit: + emit: params = ch_params colabfold_db = ch_colabfold_db uniref30 = ch_uniref30 diff --git a/workflows/colabfold.nf b/workflows/colabfold.nf index 133c64cf..3e7943d4 100644 --- a/workflows/colabfold.nf +++ b/workflows/colabfold.nf @@ -150,7 +150,7 @@ workflow COLABFOLD { ch_versions = ch_versions.mix(COLABFOLD_BATCH.out.versions) } - // + // // MODULE: Pipeline reporting // CUSTOM_DUMPSOFTWAREVERSIONS (