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Myoglobin sketch Alpha helix. 1958 – Myoglobin was the very first crystal structure of a protein molecule. [2] Myoglobin cradles an iron-containing heme group that reversibly binds oxygen for use in powering muscle fibers, and those first crystals were of myoglobin from the sperm whale, whose muscles need copious oxygen storage for deep dives.
Acta Crystallographica was established in conjunction with the foundation of the International Union of Crystallography in 1948. Both were established to maintain an international forum for crystallography after the Second World War had led to a loss of international subscription to, and the eventual nine-year closure of, the main pre-war crystallography journal, Zeitschrift für ...
Software tools for molecular design-Tinker-OpenMM [6] Software tools for molecular design-Tinker-HP [7] Proprietary, gratis Washington University: UCSF Chimera: Yes Yes Yes No No No No No No Visually appealing viewer, amino acid rotamers and other building, includes Antechamber and MMTK, Ambertools plugins in development. Proprietary, free ...
CIF was developed by the IUCr Working Party on Crystallographic Information in an effort sponsored by the IUCr Commission on Crystallographic Data and the IUCr Commission on Journals. The file format was initially published by Hall, Allen, and Brown [1] and has since been revised, most recently versions 1.1 and 2.0. [2]
In 2009, the five journals that have been cited most frequently by articles published in CrystEngComm are Inorganic Chemistry, Journal of the American Chemical Society, Angewandte Chemie International Edition, Chemical Communications and Crystal Growth & Design. [1] According to Web of Science, the following three articles have been cited most ...
Crystallography ranges from the fundamentals of crystal structure to the mathematics of crystal geometry, including those that are not periodic or quasicrystals. At the atomic scale it can involve the use of X-ray diffraction to produce experimental data that the tools of X-ray crystallography can convert into detailed positions of atoms, and ...
Free open-source: C [9] Jmol: Free open-source: Java (applet or standalone program) Transpiled HTML5/JavaScript for browser [10] [self-published source?] Supports advanced capabilities such as loading multiple molecules with independent movement, surfaces and molecular orbitals, cavity visualization, crystal symmetry MDL Chime: Proprietary ...
Mercury 2.0 launched in 2008, with additional tools to interpret and compare packing trends in crystal structures. Mercury version released in 2015 and later provides an additional functionality to generate 3D print. [6] The current Version 4.0 of Mercury developed its visual interface up to a greater extent by comparing with its old versions. [2]