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run_uf_symmetry.sh
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run_uf_symmetry.sh
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fasta_path=$1
symmetry=$2
output_dir_base=$3
database_dir=$4
max_template_date=$5
param_path=$6
echo "Starting homogeneous searching..."
python unifold/homo_search.py \
--fasta_path=$fasta_path \
--max_template_date=$max_template_date \
--output_dir=$output_dir_base \
--uniref90_database_path=$database_dir/uniref90/uniref90.fasta \
--mgnify_database_path=$database_dir/mgnify/mgy_clusters_2018_12.fa \
--bfd_database_path=$database_dir/bfd/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt \
--uniclust30_database_path=$database_dir/uniclust30/uniclust30_2018_08/uniclust30_2018_08 \
--uniprot_database_path=$database_dir/uniprot/uniprot.fasta \
--pdb_seqres_database_path=$database_dir/pdb_seqres/pdb_seqres.txt \
--template_mmcif_dir=$database_dir/pdb_mmcif/mmcif_files \
--obsolete_pdbs_path=$database_dir/pdb_mmcif/obsolete.dat \
--use_precomputed_msas=True
echo "Starting prediction..."
fasta_file=$(basename $fasta_path)
target_name=${fasta_file%.fa*}
python unifold/inference_symmetry.py \
--symmetry=$symmetry \
--param_path=$param_path \
--data_dir=$output_dir_base \
--target_name=$target_name \
--output_dir=$output_dir_base