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run_singularity.py

Lines changed: 7 additions & 6 deletions
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from absl import app
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from absl import flags
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from absl import logging
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import tempfile
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from spython.main import Client
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#### USER CONFIGURATION ####
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# Set to target of scripts/download_all_databases.sh
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DATA_DIR = os.environ['ALPHAFOLD_DATADIR']
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# AlphaFold Singularity image.
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# Path to AlphaFold Singularity image. This relies on
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# the environment variable ALPHAFOLD_DIR which is the
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# directory where AlphaFold is installed.
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singularity_image = Client.load(os.path.join(os.environ['ALPHAFOLD_DIR'], 'alphafold.sif'))
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# Path to a directory that will store the results.
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if 'TMPDIR' in os.environ:
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output_dir = os.environ['TMPDIR']
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output_dir = os.environ['TMPDIR']
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else:
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output_dir = tempfile.mkdtemp(dir='/tmp', prefix='alphafold-')
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output_dir = tempfile.mkdtemp(dir='/tmp', prefix='alphafold-')
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#### END USER CONFIGURATION ####
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