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pdbbind_complexes

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pdbbind_complexes / pdbbind.slurm

jglaser's picture

add local frame info for molecules

80474da over 2 years ago

161 Bytes

	#!/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