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#$ -N structure
#$ -pe *mpisingle 8
#$ -cwd
#$ -q test.q

module load bioinfo/structure_threader/1.3.10

str_bin=$(which structure)
structure_threader_exec=$(which structure_threader)

#$ -N structure_threader
#$ -pe *mpisingle 8
#$ -cwd

module load bioinfo/structure_threader/1.3.7

str_bin=$(which structure)
structure_threader_exec=$(which structure_threader)

${structure_threader_exec} run -i smalldata/Reduced_dataset.structure -o results -st ${str_bin} -K 3 -t $NSLOTS -R 5 --params smalldata/mainparams