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io_read_pdb.sh 360 B
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#!/bin/bash -ex
#SBATCH -J coffe_read_pdb
#SBATCH -t 5:00:00
#SBATCH -c 1
#SBATCH --mem=16G
#SBATCH -o /g/arendt/npapadop/cluster/io_read_pdb.out
#SBATCH -e /g/arendt/npapadop/cluster/io_read_pdb.err

module load Anaconda3
source ~/.bash_profile
conda activate /g/arendt/npapadop/repos/condas/milot

python /g/arendt/npapadop/repos/coffe/scripts/io_read_pdb.py