Commit 60667f0d authored by ruedsimo's avatar ruedsimo
Browse files

added options

parent 7ffd8cc6
#!/usr/bin/bash
#BSUB -n 12
#BSUB -n 24:00
#BSUB -n 04:00
#BSUB -R "rusage[mem=10000, scratch=10000]"
#BSUB -R "rusage[ngpus_excl_p=1] select[gpu_mtotal0>=10240]"
#BSUB -R "span[hosts=1]"
......@@ -21,16 +21,16 @@ export XLA_PYTHON_CLIENT_MEM_FRACTION=1.0
python /cluster/apps/nss/alphafold/alphafold-2.1.1/run_alphafold.py \
--data_dir=$DATA_DIR \
--output_dir=$OUTPUT_DIR \
--max_template_date="2022-01-28" \
--max_template_date="2022-02-21" \
--bfd_database_path=$DATA_DIR/bfd/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt \
--uniref90_database_path=$DATA_DIR/uniref90/uniref90.fasta \
--uniclust30_database_path=$DATA_DIR/uniclust30/uniclust30_2018_08/uniclust30_2018_08 \
--mgnify_database_path=$DATA_DIR/mgnify/mgy_clusters_2018_12.fa \
--template_mmcif_dir=$DATA_DIR/pdb_mmcif/mmcif_files \
--obsolete_pdbs_path=$DATA_DIR/pdb_mmcif/obsolete.dat \
--model_preset=multimer --pdb_seqres_database_path=$DATA_DIR/pdb_seqres/pdb_seqres.txt --uniprot_database_path=/uniprot/uniprot.fasta \
--fasta_paths=/cluster/work/sis/cdss/jarunanp/21_12_alphafold_benchmark/fastafiles/IFGSC_6mer.fasta
--pdb70_database_path=$DATA_DIR/pdb70/pdb70 \
--fasta_paths=/cluster/home/ruedsimo/alphafold/alphafold_on_euler/SRSF1.fasta
mkdir -p output/IFGSC_6mer
rsync -av $TMPDIR/output/IFGSC_6mer ./output/IFGSC_6mer
mkdir -p output/SRSF1
rsync -av $TMPDIR/output/SRSF1 ./output/SRSF1
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