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Beatify instructions on how to install ccp4 in a container
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DimaMolod committed Oct 10, 2024
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Expand Up @@ -365,9 +365,8 @@ Executing the command above will perform submit the following jobs to the cluste

For using CCP4 programs to extend generated statistics, please follow these instructions:
```bash
singularity pull docker://kosinskilab/alpha_analysis_basis_jax0.4:latest
singularity build --sandbox <writable_image_dir> alpha_analysis_basis_jax0.4.sif
singularity shell --writable <writable_image_dir>
singularity pull docker://kosinskilab/fold_analysis:latest
singularity build --sandbox <writable_image_dir> 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 <writable_image_dir>/tmp
Expand All @@ -378,11 +377,10 @@ cp bin/pisa bin/sc /software/

singularity build <new_image.sif> <writable_image_dir>
```
Then open AlphaPulldownSnakemake/config/config.yaml in a text editor and change this line:
analysis_container : "docker://kosinskilab/fold_analysis:latest"
to this line:
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"

```
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