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- W180201063 abstract "The Protein Data Bank collects atomic coordinate data and related information from structural studies on biological macromolecules. The great majority of these data result from crystal structure determinations, although a few structures derived from theoretical model calculations are included. Atomic coordinate data are required to be deposited with the Protein Data Bank by the investigators themselves in machine-readable form. In this way errors in the atomic coordinate entries, which typically contain 3-dimensional coordinates for more than 1000 atoms, are minimized. The submitted coordinates are put into a standard format which includes IUPAC-IUB conventional atom and 3-character residue names, essential bond connectivity information, and citations to published papers. Syntactic and numeric checks are run, and each entry is cleared by the depositors before being released for distribution. At present, a major need of the Protein Data Bank community is for the Bank to extend and improve its data checking and evaluation algorithms. Efforts in this area have been limited by manpower constraints in the past, since precedence had always to be given to keeping up with new data and with distributions to customers. With additional Federal Agency support, it now has been possible to expand checking and evaluation efforts. A highmore » priority task is to implement procedures to check exhaustively for significant non-bonded contacts in the crystal. 3 refs., 1 fig.« less" @default.
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- W180201063 date "1987-01-01" @default.
- W180201063 modified "2023-09-23" @default.
- W180201063 title "Collection and standardization of crystal structure data by the Protein Data Bank" @default.
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