file=t1050.fa
DATADIR=/opt/app/alphafold/alphafold-main/scripts
python run_alphafold.py \
--data_dir=$DATADIR \
--bfd_database_path=$DATADIR/bfd/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt \
--uniclust30_database_path=$DATADIR/uniclust30/uniclust30_2018_08/uniclust30_2018_08 \
--uniref90_database_path=$DATADIR/uniref90/uniref90.fasta \
--mgnify_database_path=$DATADIR/mgnify/mgy_clusters.fa \
--pdb70_database_path=$DATADIR/pdb70/pdb70 \
--template_mmcif_dir=$DATADIR/pdb_mmcif/mmcif_files \
--obsolete_pdbs_path=$DATADIR/pdb_mmcif/obsolete.dat \
--fasta_paths=$file\
--max_template_date=2020-05-14 \
--db_preset=full_dbs \
--use_gpu_relax=True \
--norun_relax \
--output_dir=output
