IUCr 1994 Report - Commission on Biological Macromolecules

The Commission continued to be concerned with the deposition, validation, retrieval, dissemination and usage of macromolecular crystallographic data. The activities of the Brookhaven Protein Data Bank have received added momentum with the appointment of Joel Sussman as its Director. The PDB has also adopted new checking and classification procedures. The joint North American-European Community efforts in new ways of dealing with macromolecular data continue to make progress. The Commission has been keen that the available information pertaining to this area should be widely disseminated within the rest of the international macromolecular crystallographic community, who should also be encouraged to contribute to the on-going efforts. With this purpose in view, plans have been finalized to organize an International Seminar-cum-School on Macromolecular Crystallographic Data in Calcutta, India, 16-20 November 1995. The topics planned to be covered at the Meeting include protein data bank file structure and services available; validation tests and criteria for deposition of data; error and quality of crystallographic protein models; data-deposition procedure; comparison with NMR and other non-crystallographic models; dissemination of data; and use of structural data in knowledge-based molecular modelling, drug design, protein engineering, macromolecular structure analysis and elucidation of general principles of macromolecular architecture.

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