pydangle top2018 full: Geometric measurements and classifications for 12,125 high-quality protein chains with residue filtering based on main chain and side chain metrics
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Per-residue backbone geometry (phi, psi, omega, tau), sidechain torsion angles (chi1-chi4), Ramachandran classifications at four granularities (6/5/4/3-class), DSSP secondary structure, peptide bond type, and chirality for 2,405,322 quality-filtered protein residues from 12,125 chains in 11,843 high-resolution, low-redundancy protein structures. Computed using pydangle-biopython v0.5.1 on "ersatz" full-structure PDB files that preserve multi-chain context for correct DSSP assignments. Source data from the Richardson Lab top2018 dataset (Williams et al., 2021, doi:10.1002/pro.4239), full-filtered, 70% homology, 60% completeness. See README.md for full methodology and top2018_issues.md for preparation details.
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Zenodo创建时间:
2026-03-15



