diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 95e8cd41..47ad6707 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -34,7 +34,7 @@ jobs: - "test_colabfold_webserver" - "test_colabfold_download" - "test_esmfold" - + steps: - name: Check out pipeline code uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 @@ -49,4 +49,4 @@ jobs: - name: Run pipeline with test data ${{ matrix.parameters }} profile run: | - nextflow run ${GITHUB_WORKSPACE} -profile ${{ matrix.parameters }},docker --outdir ./results_${{ matrix.parameters }} \ No newline at end of file + nextflow run ${GITHUB_WORKSPACE} -profile ${{ matrix.parameters }},docker --outdir ./results_${{ matrix.parameters }} diff --git a/.nf-core.yml b/.nf-core.yml index e105640d..69e8d9bf 100644 --- a/.nf-core.yml +++ b/.nf-core.yml @@ -2,6 +2,5 @@ repository_type: pipeline nf_core_version: "2.14.1" lint: files_unchanged: - - .github/ISSUE_TEMPLATE/bug_report.yml - - pyproject.toml + - .github/CONTRIBUTING.md multiqc_config: false diff --git a/README.md b/README.md index e00c3b9d..a7554366 100644 --- a/README.md +++ b/README.md @@ -55,7 +55,7 @@ nextflow run nf-core/proteinfold \ --outdir ``` -The pipeline takes care of downloading the databases and parameters required by AlphaFold2, Colabfold or ESMFold. In case you have already downloaded the required files, you can skip this step by providing the path to the databases using the corresponding parameter [`--alphafold2_db`], [`--colabfold_db`] or [`--esmfold_db`]. Please refer to the [usage documentation](https://nf-co.re/proteinfold/usage) to check the directory structure you need to provide for each of the databases. +The pipeline takes care of downloading the databases and parameters required by AlphaFold2, Colabfold or ESMFold. In case you have already downloaded the required files, you can skip this step by providing the path to the databases using the corresponding parameter [`--alphafold2_db`], [`--colabfold_db`] or [`--esmfold_db`]. Please refer to the [usage documentation](https://nf-co.re/proteinfold/usage) to check the directory structure you need to provide for each of the databases. - The typical command to run AlphaFold2 mode is shown below: @@ -121,6 +121,7 @@ The pipeline takes care of downloading the databases and parameters required by ``` [!WARNING] + > If you aim to carry out a large amount of predictions using the colabfold_webserver mode, please setup and use your own custom MMSeqs2 API Server. You can find instructions [here](https://github.com/sokrypton/ColabFold/tree/main/MsaServer). - The esmfold mode can be run using the command below: