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Code Block
titlealphafold2.sge
#$ -N alphafold2
#$ -pe gpu 1
#$ -l cores=5
#$ -cwd

module load bioinfo/alphafold2/2.0.1

GPUDEVICE=$(cat $TMPDIR/gpu)

run_alphafold.sh -d $ALPHAFOLDDB -o dummy_test -m model_1 -f example/query.fasta -t 2020-05-10 -a $GPUDEVICE -n 105


Tip
titleNapomena

Aplikacija je instalirana i konfigurirana u Python virtualnom okruženju kojeg korisnik može proširiti sa svojim proizvoljnim Python aplikacijama. Nakon učitavanja modula, korisnik dodatne aplikacije instalira s:

Code Block
conda create --prefix $LOCALPKGS python=3.8
conda install --prefix $LOCALPKGS potrebni-python-pkg


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