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jglaser
/

pdb_protein_ligand_complexes

Tags:

complex structures

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pdb_protein_ligand_complexes / pdb.slurm

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initial commit

1d7245f about 2 years ago

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189 Bytes

	#!/bin/bash
	#SBATCH -J preprocess
	#SBATCH -p batch
	#SBATCH -A STF006
	#SBATCH -t 3:00:00
	#SBATCH -N 36
	#SBATCH --ntasks-per-node=16

	export PYTHONUNBUFFERED=1
	srun python parse_complexes.py