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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.
44This splits off my pull request https://github.com/deepmind/alphafold/pull/166
55
66## Installation Instructions
7- Check out this repo into the top of the alphafold source tree:
7+ Check out this repo into the top of the alphafold source tree to a directory called ` singularity ` :
88```
99$ cd alphafold-v2.x.x
10- $ git clone https://github.com/prehensilecode/alphafold_singularity
10+ $ git clone https://github.com/prehensilecode/alphafold_singularity singularity
11+
1112```
1213
1314To use, first install the Python requirements:
@@ -22,3 +23,9 @@ sudo singularity build alphafold.sif alphafold_singularity/Singularity.def
2223
2324If your ` /tmp ` directory is small, you may need to set the [ ` SINGULARITY_TMPDIR `
2425environment variable] ( https://sylabs.io/guides/3.3/user-guide/build_env.html#temporary-folders ) to a directory on a filesystem with more free space.
26+
27+ To run, modify the ` $ALPHAFOLD_SRC/singularity/run_singularity.py ` and change the
28+ section marked ` USER CONFIGURATION ` . At the least, you will need to modify the values
29+ of:
30+ - ` DOWNLOAD_DIR ` - location where AlphaFold databases are downloaded
31+ - ` singularity_image ` - absolute path to the ` alphafold.sif ` Singularity image
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