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triDNAlib: 3D fragment library of DNA trinucleotides

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Zenodo2022-05-04 更新2026-04-07 收录
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A library of <strong>3D structures of DNA trinucleotides</strong>, extracted from the PDB using the protNAff tool [1], in <strong>all-atom</strong> and <strong>coarse-grain</strong> [2] representations. The coordinates of the fragments are stored as numpy matrices. To convert them into PDB files, unzip the archive, enter it and run the command line: <em>bash scripts/convert_npy_pdb.sh</em> The PDB files will be created in ssDNA, both as multi-models and single-model files, for both all-atom ("aa") and coarse-grain ("r" for "reduced). If you face any error or have any question, please contact the authors. [1] https://github.com/isaureCdB/ProtNAff [2] Setny, Bahadur and Zacharias, BMC Bioinformatics. 2012. doi: 10.1186/1471-2105-13-228

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2022-05-04
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