Commit 8acf2afd authored by ruedsimo's avatar ruedsimo
Browse files

correct path for uniprot, AF 2.2.0

parent 54e868ad
......@@ -86,7 +86,7 @@ if (( "$n_lines" <= 2 )); then
OPTIONS="--pdb70_database_path=\$DATA_DIR/pdb70/pdb70 \\ "
elif (( "$n_lines" > 2 )); then
echo " Protein type: multimer"
OPTIONS="--model_preset=multimer --pdb_seqres_database_path=\$DATA_DIR/pdb_seqres/pdb_seqres.txt --uniprot_database_path=$DATA_DIR/uniprot/uniprot.fasta \\"
OPTIONS="--model_preset=multimer --pdb_seqres_database_path=\$DATA_DIR/pdb_seqres/pdb_seqres.txt --uniprot_database_path=\$DATA_DIR/uniprot/uniprot.fasta \\"
fi
# Determine the sequence length
......@@ -179,7 +179,7 @@ cat <<EOF > $RUNSCRIPT
#BSUB -J alphafold
source /cluster/apps/local/env2lmod.sh
module load gcc/6.3.0 openmpi/4.0.2 alphafold/2.1.1
module load gcc/6.3.0 openmpi/4.0.2 alphafold/2.2.0
source /cluster/apps/nss/alphafold/venv_alphafold/bin/activate
# Define paths to databases and out put directory
......
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