diff --git a/scripts/databases_pdb.sh b/scripts/databases_pdb.sh new file mode 100755 index 0000000000000000000000000000000000000000..5fafbd416b2596b852ae1b549b1c5ff7ac06e839 --- /dev/null +++ b/scripts/databases_pdb.sh @@ -0,0 +1,19 @@ +#!/bin/bash -ex +#SBATCH -J create_index +#SBATCH -t 08:00:00 +#SBATCH -c 64 +#SBATCH --mem=200G +#SBATCH -o /g/arendt/npapadop/cluster/create_index.out +#SBATCH -e /g/arendt/npapadop/cluster/create_index.err + +# build the indices for the sequence databases uniref30, PDB. This is later used for the +# MSAs of the Spongilla sequences. + +cd /scratch/npapadop/database + +module load MMseqs2 + +mmseqs databases PDB PDB tmp +mmseqs createindex PDB tmp3 --remove-tmp-files 1 --threads 64 + +module unload MMseqs2