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Fix #512
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12
README.md
12
README.md
@@ -283,7 +283,7 @@ This will download the version specified by '--tag' of the snakemake pipeline an
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snakedeploy deploy-workflow \
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https://github.com/KosinskiLab/AlphaPulldownSnakemake \
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AlphaPulldownSnakemake \
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--tag 1.4.0
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--tag 2.1.2
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cd AlphaPulldownSnakemake
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```
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>[!NOTE]
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@@ -294,8 +294,8 @@ To install the software needed for [the analysis step](https://github.com/Kosins
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Download so-called Singularity image with our analysis software package
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```bash
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singularity pull docker://kosinskilab/fold_analysis:latest
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singularity build --sandbox <writable_image_dir> fold_analysis_latest.sif
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singularity pull docker://kosinskilab/fold_analysis:2.1.2
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singularity build --sandbox <writable_image_dir> fold_analysis_2.1.2.sif
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```
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<writable_image_dir> can be any temporary directory and can be deleted later.
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@@ -310,9 +310,9 @@ cp -rn lib/* <writable_image_dir>/software/lib64/
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Create a new Singularity with CCP4 included
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```bash
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cd <directory where you want to keep your local software>
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singularity build fold_analysis_latest_withCCP4.sif <writable_image_dir>
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singularity build fold_analysis_2.1.2_withCCP4.sif <writable_image_dir>
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```
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It should create `fold_analysis_latest_withCCP4.sif` file.
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It should create `fold_analysis_2.1.2_withCCP4.sif` file.
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You can delete the <writable_image_dir> now.
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@@ -330,7 +330,7 @@ feature_directory :
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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:
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```yaml
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analysis_container : "/path/to/fold_analysis_latest_withCCP4.sif"
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analysis_container : "/path/to/fold_analysis_2.1.2_withCCP4.sif"
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```
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If you want to change folding backend, simply add `folding-backend` flag to the `structure_inference_arguments`, e.g. for using AlphaFold3 backend:
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```yaml
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