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Run modeling script with Python 3
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benmwebb committed Jul 25, 2023
1 parent dd4aa65 commit 522c966
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions backend/modloop/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -136,7 +136,7 @@ def make_python_script(loops, model, sequence):
model_format = model.file_format
return """
# Run this script with something like
# python loop.py N > N.log
# python3 loop.py N > N.log
# where N is an integer from 1 to the number of models.
#
# ModLoop does this for N from 1 to 300 (it runs the tasks in parallel on a
Expand Down Expand Up @@ -189,7 +189,7 @@ def make_sge_script(runnercls, model, jobname, directory, number_of_tasks):
module load Sali
module load modeller/10.4
python $input ${SGE_TASK_ID} >& $output
python3 $input ${SGE_TASK_ID} >& $output
# Copy back PDB/mmCIF
cp *.B* %(directory)s
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