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Mercury (crystallography)
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. Current version Mercury can read "cif", " .mol", ".mol2", " .pdb", ".res", ".sd" and ".xyz" types of files. Mercury has its own file format with filename extension ".mryx". History The Cambridge Crystallographic Data Centre (CCDC) developed and launched two programs, named ConQuest and Mercury that run under Windows and various types of Unix, including Linux. ConQuest as a search interface to the Cambridge Structural Database (CSD), with Fortran code that performs a large variety of tasks, such as two dimensional and three-dimensional substructure searching. Mercury introduced as a crystal structure visualizer having the facilities for exploring the intermolecular contacts. The mercury pr ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cambridge Crystallographic Data Centre
The Cambridge Crystallographic Data Centre (CCDC) is a non-profit organisation based in Cambridge, England. Its primary activity is the compilation and maintenance of the Cambridge Structural Database, a database of small molecule crystal structures. They also perform analysis on the database for the benefit of the scientific community, and write and distribute computer software to allow others to do the same. History In 1962, Dr. Olga Kennard OBE FRS set up a chemical crystallography group within the Department of Chemistry, University of Cambridge. In 1965 she founded the CCDC and established the associated Cambridge Structural Database. At that time, there were only about 3,000 published X-ray structures, and the work involved converting these into a machine-readable form. In 1992, the CCDC moved into its own building adjacent to the Cambridge chemistry department. This new headquarters was designed by the Danish architect Professor Erik Christian Sørensen and won ''The ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
International Union Of Crystallography
The International Union of Crystallography (IUCr) is an organisation devoted to the international promotion and coordination of the science of crystallography. The IUCr is a member of the International Council for Science (ICSU). Objectives The objectives of the IUCr are to promote international cooperation in crystallography and to contribute to all aspects of crystallography, to promote international publication of crystallographic research, to facilitate standardization of methods, units, nomenclatures and symbols, and to form a focus for the relations of crystallography to other sciences. The IUCr fulfils these objectives by publishing in print and electronically primary scientific journals through the ''Acta Crystallographica'' journal series, as well as ''Journal of Applied Crystallography'', ''Journal of Synchrotron Radiation'', '' IUCrJ'', the series of reference volumes ''International Tables for Crystallography'', distributing the quarterly ''IUCr Newsletter'', mai ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
3D Printing
3D printing or additive manufacturing is the Manufacturing, construction of a three-dimensional object from a computer-aided design, CAD model or a digital 3D modeling, 3D model. It can be done in a variety of processes in which material is deposited, joined or solidified under Computer Numerical Control, computer control, with material being added together (such as plastics, liquids or powder grains being fused), typically layer by layer. In the 1980s, 3D printing techniques were considered suitable only for the production of functional or aesthetic prototypes, and a more appropriate term for it at the time was rapid prototyping. , the precision, repeatability, and material range of 3D printing have increased to the point that some 3D printing processes are considered viable as an industrial-production technology, whereby the term ''additive manufacturing'' can be used synonymously with ''3D printing''. One of the key advantages of 3D printing is the ability to produce very ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
OpenGL
OpenGL (Open Graphics Library) is a cross-language, cross-platform application programming interface (API) for rendering 2D and 3D vector graphics. The API is typically used to interact with a graphics processing unit (GPU), to achieve hardware-accelerated rendering. Silicon Graphics, Inc. (SGI) began developing OpenGL in 1991 and released it on June 30, 1992; applications use it extensively in the fields of computer-aided design (CAD), virtual reality, scientific visualization, information visualization, flight simulation, and video games. Since 2006, OpenGL has been managed by the non-profit technology consortium Khronos Group. Design The OpenGL specification describes an abstract API for drawing 2D and 3D graphics. Although it is possible for the API to be implemented entirely in software, it is designed to be implemented mostly or entirely in hardware. The API is defined as a set of functions which may be called by the client program, alongside a set of named intege ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Graphical User Interface
The GUI ( "UI" by itself is still usually pronounced . or ), graphical user interface, is a form of user interface that allows users to interact with electronic devices through graphical icons and audio indicator such as primary notation, instead of text-based UIs, typed command labels or text navigation. GUIs were introduced in reaction to the perceived steep learning curve of CLIs ( command-line interfaces), which require commands to be typed on a computer keyboard. The actions in a GUI are usually performed through direct manipulation of the graphical elements. Beyond computers, GUIs are used in many handheld mobile devices such as MP3 players, portable media players, gaming devices, smartphones and smaller household, office and industrial controls. The term ''GUI'' tends not to be applied to other lower-display resolution types of interfaces, such as video games (where HUD (''head-up display'') is preferred), or not including flat screens like volumetric displays because ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Qt (software)
Qt (pronounced "cute") is cross-platform software for creating graphical user interfaces as well as cross-platform applications that run on various software and hardware platforms such as Linux, Windows, macOS, Android or embedded systems with little or no change in the underlying codebase while still being a native application with native capabilities and speed. Qt is currently being developed by The Qt Company, a publicly listed company, and the Qt Project under open-source governance, involving individual developers and organizations working to advance Qt. Qt is available under both commercial licenses and open-source GPL 2.0, GPL 3.0, and LGPL 3.0 licenses. Purposes and abilities Qt is used for developing graphical user interfaces (GUIs) and multi-platform applications that run on all major desktop platforms and most mobile or embedded platforms. Most GUI programs created with Qt have a native-looking interface, in which case Qt is classified as a ''widget toolkit''. ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Intermolecular Force
An intermolecular force (IMF) (or secondary force) is the force that mediates interaction between molecules, including the electromagnetic forces of attraction or repulsion which act between atoms and other types of neighbouring particles, e.g. atoms or ions. Intermolecular forces are weak relative to intramolecular forces – the forces which hold a molecule together. For example, the covalent bond, involving sharing electron pairs between atoms, is much stronger than the forces present between neighboring molecules. Both sets of forces are essential parts of force fields frequently used in molecular mechanics. The investigation of intermolecular forces starts from macroscopic observations which indicate the existence and action of forces at a molecular level. These observations include non-ideal-gas thermodynamic behavior reflected by virial coefficients, vapor pressure, viscosity, superficial tension, and absorption data. The first reference to the nature of microscopic forc ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Three-dimensional Space
Three-dimensional space (also: 3D space, 3-space or, rarely, tri-dimensional space) is a geometric setting in which three values (called ''parameters'') are required to determine the position (geometry), position of an element (i.e., Point (mathematics), point). This is the informal meaning of the term dimension. In mathematics, a tuple of Real number, numbers can be understood as the Cartesian coordinates of a location in a -dimensional Euclidean space. The set of these -tuples is commonly denoted \R^n, and can be identified to the -dimensional Euclidean space. When , this space is called three-dimensional Euclidean space (or simply Euclidean space when the context is clear). It serves as a model of the physical universe (when relativity theory is not considered), in which all known matter exists. While this space remains the most compelling and useful way to model the world as it is experienced, it is only one example of a large variety of spaces in three dimensions called ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Two-dimensional Space
In mathematics, a plane is a Euclidean (flat), two-dimensional surface that extends indefinitely. A plane is the two-dimensional analogue of a point (zero dimensions), a line (one dimension) and three-dimensional space. Planes can arise as subspaces of some higher-dimensional space, as with one of a room's walls, infinitely extended, or they may enjoy an independent existence in their own right, as in the setting of two-dimensional Euclidean geometry. Sometimes the word ''plane'' is used more generally to describe a two-dimensional surface, for example the hyperbolic plane and elliptic plane. When working exclusively in two-dimensional Euclidean space, the definite article is used, so ''the'' plane refers to the whole space. Many fundamental tasks in mathematics, geometry, trigonometry, graph theory, and graphing are performed in a two-dimensional space, often in the plane. Euclidean geometry Euclid set forth the first great landmark of mathematical thought, an axiomatic ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cambridge Structural Database
The Cambridge Structural Database (CSD) is both a repository and a validated and curated resource for the three-dimensional structural data of molecules generally containing at least carbon and hydrogen, comprising a wide range of organic compound, organic, metalorganic, metal-organic and organometallic molecules. The specific entries are complementary to the other crystallographic databases such as the Protein Data Bank (PDB), Inorganic Crystal Structure Database and International Centre for Diffraction Data. The data, typically obtained by X-ray crystallography and less frequently by electron diffraction or neutron diffraction, and submitted by crystallography, crystallographers and chemists from around the world, are freely accessible (as deposited by authors) on the Internet via the CSD's parent organization's website (CCDC, Repository). The CSD is overseen by the not-for-profit incorporated company called the Cambridge Crystallographic Data Centre, CCDC. The CSD is a widely ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Microsoft Windows
Windows is a group of several proprietary graphical operating system families developed and marketed by Microsoft. Each family caters to a certain sector of the computing industry. For example, Windows NT for consumers, Windows Server for servers, and Windows IoT for embedded systems. Defunct Windows families include Windows 9x, Windows Mobile, and Windows Phone. The first version of Windows was released on November 20, 1985, as a graphical operating system shell for MS-DOS in response to the growing interest in graphical user interfaces (GUIs). Windows is the most popular desktop operating system in the world, with 75% market share , according to StatCounter. However, Windows is not the most used operating system when including both mobile and desktop OSes, due to Android's massive growth. , the most recent version of Windows is Windows 11 for consumer PCs and tablets, Windows 11 Enterprise for corporations, and Windows Server 2022 for servers. Genealogy By marketing ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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