diff --git a/README.md b/README.md index 517e8306..f037a770 100644 --- a/README.md +++ b/README.md @@ -184,6 +184,8 @@ alphafold_database/ # Total: ~ 2.2 TB (download: 438 > [!NOTE] > Since the local installation of all genetic databases is space-consuming, you can alternatively use the [remotely-run MMseqs2 and ColabFold databases](https://github.com/sokrypton/ColabFold). Follow the corresponding [instructions](#13-run-using-mmseqs2-and-colabfold-databases-faster). However, for AlphaPulldown to function, you must download the parameters stored in the `params/` directory of the AlphaFold database. +
+
# Snakemake AlphaPulldown @@ -243,6 +245,7 @@ After responding to these prompts, your Slurm profile named *slurm_noSidecar* fo **Download The Pipeline**: This will download the version specified by '--tag' of the snakemake pipeline and create the repository AlphaPulldownSnakemake or any other name you choose. + ```bash snakedeploy deploy-workflow \ https://github.com/KosinskiLab/AlphaPulldownSnakemake \ @@ -250,6 +253,28 @@ snakedeploy deploy-workflow \ --tag 1.4.0 cd AlphaPulldownSnakemake ``` +>[!NOTE] +>If you want to use the latest version from GitHub replace `--tag X.X.X` to `--branch main` + +**Install CCP4 package**: +To install the software needed for [the anaysis step](https://github.com/KosinskiLab/AlphaPulldown?tab=readme-ov-file#3-analysis-and-visualization), please follow these instructions: + +```bash +singularity pull docker://kosinskilab/fold_analysis:latest +singularity build --sandbox fold_analysis_latest.sif +# Download the top one from https://www.ccp4.ac.uk/download/#os=linux +tar xvzf ccp4-9.0.003-linux64.tar.gz +cd ccp4-9 +cp bin/pisa bin/sc /software/ +cp /lib/* /software/lib64/ +singularity build +``` + +Then open `AlphaPulldownSnakemake/config/config.yaml` in a text editor and change the path to the analysis container to: + +```yaml +analysis_container : "/path/to/new_image.sif" +``` ## 2. Configuration @@ -363,25 +388,6 @@ Executing the command above will perform submit the following jobs to the cluste ![Snakemake rulegraph](manuals/dag.png) -For using CCP4 programs to further enrich generated statistics, please follow these instructions: -```bash -singularity pull docker://kosinskilab/fold_analysis:latest -singularity build --sandbox fold_analysis.sif - -# Download the top one from https://www.ccp4.ac.uk/download/#os=linux -cp -r ccp4-9.0.003-linux64.tar.gz /tmp -cd /tmp -tar xvzf ccp4-9.0.003-linux64.tar.gz -cd ccp4-9 -cp bin/pisa bin/sc /software/ -cp /lib/* /software/lib64/ - -singularity build -``` -Then open AlphaPulldownSnakemake/config/config.yaml in a text editor and change the path to the analysis container to: -```yaml -analysis_container : "/path/to/new_image.sif" -```