遇见数据集

pydangle top500: Per-residue backbone geometry for 514 quality-filtered protein chains from the Richardson Lab reference dataset

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Zenodo2026-03-16 更新2026-05-26 收录
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Per-residue backbone geometry (phi, psi, omega, tau), Ramachandran classifications at four granularities (6/5/4/3-class), DSSP secondary structure, peptide bond type, and chirality for 97,519 quality-filtered protein residues from 514 chains in 492 protein structures. Computed using pydangle-biopython v0.5.1 on "ersatz" full-structure PDB files with NQH flip corrections from Reduce 4.16. Source data from the Richardson Lab Top500 reference dataset (Lovell et al., 2003, doi:10.1002/prot.10286). Residue-level filtering by mainchain B-factor <= 30. See README.md for full methodology.

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Zenodo
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2026-03-16
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