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#!/bin/bash
#$ -N parafold2
#$ -pe gpu 1
#$ -l cores=5
#$ -cwd

module load bioinfo/parallelfold/2.1.1

GPUDEVICE=$(cat $TMPDIR/gpu)

cuda-wrapper.sh run_alphafold.sh -d $ALPHAFOLDDB -o output -i fasta/actin_gallus1.fasta -p monomer_ptm -t 2021-12-15 -a $GPUDEVICE -n 5

#!/bin/bash
#$ -N PLLDT_PAE
#$ -pe *mpisingle 2
#$ -cwd

module load bioinfo/parallelfold/2.1.1

run_visualisation.sh -i output/Canis_Lupus_dehydrogenase_sub_5/ -o my_outputs -n Canis