pdbbind_complex_GB2022 / pdbbind.slurm
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Create pdbbind.slurm
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#!/bin/bash
#SBATCH -J preprocess_pdbbind
#SBATCH -p batch
#SBATCH -A STF006
#SBATCH -t 3:00:00
#SBATCH -N 4
#SBATCH --ntasks-per-node=8
srun python pdbbind.py