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A crystallographic database is a database specifically designed to store information about the structure of molecules and crystals.Crystals are solids having, in all three dimensions of space, a regularly repeating arrangement of atoms, ions, or molecules.
The Crystallography Open Database (COD) is a database of crystal structures. [1] Unlike similar crystallographic databases, the database is entirely open-access, with registered users able to contribute published and unpublished structures of small molecules and small to medium-sized unit cell crystals to the database.
The CCDC grew out of the activities of the crystallography group led by Olga Kennard OBE FRS in the Department of Organic, Inorganic and Theoretical Chemistry of the University of Cambridge. From 1965, the group began to collect published bibliographic, chemical and crystal structure data for all small molecules studied by X-ray or neutron ...
The front entrance of CCDC headquarters in Cambridge, UK. The Cambridge Crystallographic Data Centre (CCDC) is a non-profit organisation based in Cambridge, England.Its primary [citation needed] activity is the compilation and maintenance of the Cambridge Structural Database, a database of small molecule crystal structures.
A: Space-Group Symmetry, [2] and the data of maximal subgroups of space groups as listed in International Tables of Crystallography, Vol. A1: Symmetry relations between space groups. [3] A k-vector database with Brillouin zone figures and classification tables of the k-vectors for space groups is also available via the KVEC tool.
Mercury is a freeware developed by the Cambridge Crystallographic Data Centre, originally designed as a crystal structure visualization tool. Mercury helps three dimensional visualization of crystal structure and assists in drawing and analysis of crystal packing and intermolecular interactions. [1]
Crystallography Open Database; D. Database of protein conformational diversity; I. Inorganic Crystal Structure Database; P. ProtCID; Protein Data Bank
Inorganic Crystal Structure Database (ICSD) is a chemical database founded in 1978 by Günter Bergerhoff at the University of Bonn in Germany and I. D. Brown at McMaster University in Canada. [ 1 ] [ 2 ] It is now produced by FIZ Karlsruhe in Europe and the U.S. National Institute of Standards and Technology .