Deposition of macromolecular structures. 1998

P A Keller, and K Henrick, and P McNeil, and S Moodie, and G J Barton
Macromolecular Structure Database Group, EMBL Outstation, European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, England.msd@ebi.ac.uk

Macromolecular structures are being determined at an increasing rate, and are of interest to a wide diversity of researchers. Depositing a macromolecular structure with the Protein Data Bank makes it readily available to the community. Accuracy, consistency and machine-readability of the data are essential, as are clear indications of quality, and sufficient information to allow non-experimentalists to interpret the data. Good-quality depositions are necessary to allow this to be achieved. The PDB's AutoDep system allows deposition and some preliminary automatic checking to take place at multiple sites, prior to full processing and release of the structure by the PDB. However, depositing a structure currently requires the manual entry of a large amount of information at the time of deposition. The data-harvesting approach will allow much more information to be deposited, without placing an additional burden on the depositor. Deposition-ready files will be generated automatically during the course of a structure-determination experiment. The additional information will allow improved validation procedures to be applied to the structures, and the data to be made more useful to the wider scientific community.

UI MeSH Term Description Entries
D011487 Protein Conformation The characteristic 3-dimensional shape of a protein, including the secondary, supersecondary (motifs), tertiary (domains) and quaternary structure of the peptide chain. PROTEIN STRUCTURE, QUATERNARY describes the conformation assumed by multimeric proteins (aggregates of more than one polypeptide chain). Conformation, Protein,Conformations, Protein,Protein Conformations
D003628 Database Management Systems Software designed to store, manipulate, manage, and control data for specific uses. Data Base Management Systems,Management System, Data Base,Management Systems, Data Base,System, Data Base Management,Systems, Data Base Management,Database Management System
D016208 Databases, Factual Extensive collections, reputedly complete, of facts and data garnered from material of a specialized subject area and made available for analysis and application. The collection can be automated by various contemporary methods for retrieval. The concept should be differentiated from DATABASES, BIBLIOGRAPHIC which is restricted to collections of bibliographic references. Databanks, Factual,Data Banks, Factual,Data Bases, Factual,Data Bank, Factual,Data Base, Factual,Databank, Factual,Database, Factual,Factual Data Bank,Factual Data Banks,Factual Data Base,Factual Data Bases,Factual Databank,Factual Databanks,Factual Database,Factual Databases
D016247 Information Storage and Retrieval Organized activities related to the storage, location, search, and retrieval of information. Information Retrieval,Data Files,Data Linkage,Data Retrieval,Data Storage,Data Storage and Retrieval,Information Extraction,Information Storage,Machine-Readable Data Files,Data File,Data File, Machine-Readable,Data Files, Machine-Readable,Extraction, Information,Files, Machine-Readable Data,Information Extractions,Machine Readable Data Files,Machine-Readable Data File,Retrieval, Data,Storage, Data

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