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lines changed Original file line number Diff line number Diff line change @@ -4,10 +4,11 @@ Singularity recipe for AlphaFold, with example Slurm job script.
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This splits off my pull request https://github.com/deepmind/alphafold/pull/166
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## Installation Instructions
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- Check out this repo into the top of the alphafold source tree:
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+ Check out this repo into the top of the alphafold source tree to a directory called ` singularity ` :
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```
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$ cd alphafold-v2.x.x
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- $ git clone https://github.com/prehensilecode/alphafold_singularity
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+ $ git clone https://github.com/prehensilecode/alphafold_singularity singularity
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+
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```
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To use, first install the Python requirements:
@@ -22,3 +23,9 @@ sudo singularity build alphafold.sif alphafold_singularity/Singularity.def
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If your ` /tmp ` directory is small, you may need to set the [ ` SINGULARITY_TMPDIR `
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environment variable] ( https://sylabs.io/guides/3.3/user-guide/build_env.html#temporary-folders ) to a directory on a filesystem with more free space.
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+
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+ To run, modify the ` $ALPHAFOLD_SRC/singularity/run_singularity.py ` and change the
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+ section marked ` USER CONFIGURATION ` . At the least, you will need to modify the values
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+ of:
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+ - ` DOWNLOAD_DIR ` - location where AlphaFold databases are downloaded
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+ - ` singularity_image ` - absolute path to the ` alphafold.sif ` Singularity image
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