├── .github ├── img │ ├── architecture.png │ └── index.png └── workflows │ ├── docker.yml │ └── test.yml ├── .gitignore ├── Cargo.lock ├── Cargo.toml ├── Dockerfile ├── LICENSE.md ├── README.md ├── data ├── AF-P17538-F1-model_v4.pdb ├── configs.toml ├── foldcomp │ ├── 7m0y.fcz │ ├── example_db │ ├── example_db.dbtype │ ├── example_db.index │ ├── example_db.lookup │ └── example_db.source ├── homeobox │ ├── 1akha-.pdb │ ├── 1b72a-.pdb │ ├── 1b72b-.pdb │ ├── 1ba5--.pdb │ ├── info.tsv │ ├── inner │ │ ├── 1akha-.pdb │ │ └── 1akha-.pdb.gz │ └── temp.tsv ├── index_config.toml ├── io_test │ ├── 1akha-.pdb │ ├── 1b72a-.ent.gz │ ├── 1b72a-.pdb │ ├── 1b72b-.pdb │ ├── 1ba5--.pdb │ ├── cif │ │ ├── 1G2F.cif │ │ ├── 2wnb.cif │ │ ├── 2wnb.cif.gz │ │ ├── 2wnb.pdb │ │ ├── AF-A0A4S3KKF6-F1-model_v4.cif │ │ ├── AF-A0A4S3KKF6-F1-model_v4.cif.gz │ │ └── AF-A0A4S3KKF6-F1-model_v4.pdb │ └── inner │ │ ├── 1akha-.pdb.gz │ │ └── 1b72a-.ent ├── long │ ├── 1MCZ.pdb │ ├── 2FYN.pdb │ ├── 2VKZ.pdb │ ├── 3CXH.pdb │ ├── 3K38.pdb │ ├── 3L74.pdb │ ├── 5DA8.pdb │ ├── 6FF7.pdb │ ├── 6ICZ.pdb │ └── 7ABI.pdb ├── query_config.toml ├── serine_peptidases │ ├── 1azw.pdb │ ├── 1ju3.pdb │ ├── 1l7a.pdb │ ├── 1pq5.pdb │ ├── 4cha.pdb │ └── info_serhisasp.tsv ├── zinc_answer.tsv └── zinc_folddisco.tsv ├── index └── .keep ├── lib ├── foldcomp │ ├── CMakeLists.txt │ ├── LICENSE.txt │ ├── README.md │ ├── bindings.rs │ ├── foldcompffi.cpp │ ├── foldcompffi.h │ └── src │ │ ├── CMakeLists.txt │ │ ├── amino_acid.cpp │ │ ├── amino_acid.h │ │ ├── atom_coordinate.cpp │ │ ├── atom_coordinate.h │ │ ├── bond_info.h │ │ ├── database_reader.cpp │ │ ├── database_reader.h │ │ ├── database_writer.cpp │ │ ├── database_writer.h │ │ ├── discretizer.cpp │ │ ├── discretizer.h │ │ ├── execution_timer.h │ │ ├── float3d.h │ │ ├── foldcomp.cpp │ │ ├── foldcomp.h │ │ ├── input_processor.h │ │ ├── main.cpp │ │ ├── nerf.cpp │ │ ├── nerf.h │ │ ├── sidechain.cpp │ │ ├── sidechain.h │ │ ├── structure_reader.cpp │ │ ├── structure_reader.h │ │ ├── tcbspan.h │ │ ├── torsion_angle.cpp │ │ ├── torsion_angle.h │ │ ├── utility.cpp │ │ └── utility.h ├── pdbtbx-cif │ ├── Cargo.lock │ ├── Cargo.toml │ └── src │ │ ├── error.rs │ │ ├── lex_item.rs │ │ └── lib.rs └── pico-args │ ├── Cargo.toml │ ├── LICENSE │ └── src │ └── lib.rs ├── query ├── 1G2F.pdb ├── 1LAP.pdb ├── 1SU6.pdb ├── 2MNR.pdb ├── 2N6N.pdb ├── 4CHA.pdb ├── aminopeptidase.txt ├── enolase.txt ├── knottin.txt ├── serine_peptidase.txt ├── zinc_finger.txt └── zinc_finger_with_output.txt ├── quick_start.sh ├── scripts └── fit_foldcomp_lookup_into_index.sh ├── src ├── cli │ ├── config.rs │ ├── main.rs │ ├── mod.rs │ └── workflows │ │ ├── benchmark.rs │ │ ├── build_index.rs │ │ ├── mod.rs │ │ └── query_pdb.rs ├── controller │ ├── count_query.rs │ ├── feature.rs │ ├── filter.rs │ ├── graph.rs │ ├── io.rs │ ├── map.rs │ ├── mod.rs │ ├── mode.rs │ ├── query.rs │ ├── result.rs │ └── retrieve.rs ├── geometry │ ├── core.rs │ ├── hybrid.rs │ ├── mod.rs │ ├── pdb_motif.rs │ ├── 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