This commit is contained in:
Dima Molodenskiy
2025-09-04 10:43:01 +02:00
parent 916721666f
commit a5f09846c1
2 changed files with 7 additions and 7 deletions

View File

@@ -283,7 +283,7 @@ This will download the version specified by '--tag' of the snakemake pipeline an
snakedeploy deploy-workflow \
https://github.com/KosinskiLab/AlphaPulldownSnakemake \
AlphaPulldownSnakemake \
--tag 1.4.0
--tag 2.1.2
cd AlphaPulldownSnakemake
```
>[!NOTE]
@@ -294,8 +294,8 @@ To install the software needed for [the analysis step](https://github.com/Kosins
Download so-called Singularity image with our analysis software package
```bash
singularity pull docker://kosinskilab/fold_analysis:latest
singularity build --sandbox <writable_image_dir> fold_analysis_latest.sif
singularity pull docker://kosinskilab/fold_analysis:2.1.2
singularity build --sandbox <writable_image_dir> fold_analysis_2.1.2.sif
```
<writable_image_dir> can be any temporary directory and can be deleted later.
@@ -310,9 +310,9 @@ cp -rn lib/* <writable_image_dir>/software/lib64/
Create a new Singularity with CCP4 included
```bash
cd <directory where you want to keep your local software>
singularity build fold_analysis_latest_withCCP4.sif <writable_image_dir>
singularity build fold_analysis_2.1.2_withCCP4.sif <writable_image_dir>
```
It should create `fold_analysis_latest_withCCP4.sif` file.
It should create `fold_analysis_2.1.2_withCCP4.sif` file.
You can delete the <writable_image_dir> now.
@@ -330,7 +330,7 @@ feature_directory :
If you want to use CCP4 for analysis, open `config/config.yaml` in a text editor and change the path to the analysis container to:
```yaml
analysis_container : "/path/to/fold_analysis_latest_withCCP4.sif"
analysis_container : "/path/to/fold_analysis_2.1.2_withCCP4.sif"
```
If you want to change folding backend, simply add `folding-backend` flag to the `structure_inference_arguments`, e.g. for using AlphaFold3 backend:
```yaml