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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 Force, intermolecular interactions. Current version Mercury can read "Crystallographic Information File, cif", "Chemical table file#Molfile, .mol", ".mol2", "Protein Data Bank (file format), .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, Cambridge Structural Database (CSD), with Fortran code that performs a large variety of tasks, such as Two-dimensional space, two dimensional and Three- ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cambridge Crystallographic Data Centre
The Cambridge Crystallographic Data Centre (CCDC) is a Nonprofit organization, 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 crystallography, X-ray structures, and the work involved converting these into a Machine-readable data, machine-readable form. Kennard invited Frank Allen (chemist), Frank Allen to join the group, which he did in 1970, becoming Scientific Director and then Exec ... [...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 construction of a three-dimensional object from a CAD model or a digital 3D model. It can be done in a variety of processes in which material is deposited, joined or solidified under computer control, with the 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; in this context, 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 complex shapes or geometries that would be otherwise infeasi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
OpenGL
OpenGL (Open Graphics Library) is a Language-independent specification, cross-language, cross-platform application programming interface (API) for rendering 2D computer graphics, 2D and 3D computer graphics, 3D vector graphics. The API is typically used to interact with a graphics processing unit (GPU), to achieve Hardware acceleration, hardware-accelerated Rendering (computer graphics), rendering. Silicon Graphics, Inc. (SGI) began developing OpenGL in 1991 and released it on June 30, 1992. It is used for a variety of applications, including computer-aided design (CAD), video games, scientific visualization, virtual reality, and Flight simulator, flight simulation. Since 2006, OpenGL has been managed by the Non-profit organization, non-profit technology consortium Khronos Group. Design The OpenGL specification describes an abstract application programming interface, application programming interface (API) for drawing 2D and 3D graphics. It is designed to be implemented mostly ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Graphical User Interface
A graphical user interface, or GUI, is a form of user interface that allows user (computing), users to human–computer interaction, interact with electronic devices through Graphics, graphical icon (computing), icons and visual indicators such as secondary notation. In many applications, GUIs are used instead of text-based user interface, text-based UIs, which are based on typed command labels or text navigation. GUIs were introduced in reaction to the perceived steep learning curve of command-line interfaces (CLIs), which require commands to be typed on a computer keyboard. The actions in a GUI are usually performed through direct manipulation interface, 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 Distributed control system, industrial controls. The term ''GUI'' tends not to be applied to other lower-displa ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Qt (software)
Qt ( pronounced "cute") is a cross-platform application development framework for creating graphical user interfaces as well as Cross-platform software, cross-platform applications that run on various software and hardware platforms such as Linux, Windows, macOS, Android (operating system), 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 GNU General Public License, GPL 2.0, GPL 3.0, and GNU Lesser General Public License, LGPL 3.0 licenses. Purposes and abilities Qt is used for developing graphical user interfaces (GUIs) and multi-platform application software, applications that run on all major Desktop computer ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Intermolecular Force
An intermolecular force (IMF; also 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 first reference to the nature of microscopic forces is found in Alexis Clairaut's work ''Théorie de la figure de la Terre,'' published in Paris in 1743. Other scientists who have contributed to the investigation of microscopic forces include: Laplace, Gauss, Maxwell, Boltzmann and Pauling. Attractive intermolecular forces are categorized into the following ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Three-dimensional Space
In geometry, a three-dimensional space (3D space, 3-space or, rarely, tri-dimensional space) is a mathematical space in which three values ('' coordinates'') are required to determine the position of a point. Most commonly, it is the three-dimensional Euclidean space, that is, the Euclidean space of dimension three, which models physical space. More general three-dimensional spaces are called '' 3-manifolds''. The term may also refer colloquially to a subset of space, a ''three-dimensional region'' (or 3D domain), a '' solid figure''. Technically, a tuple of 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 pair formed by a -dimensional Euclidean space and a Cartesian coordinate system. When , this space is called the three-dimensional Euclidean space (or simply "Euclidean space" when the context is clear). In classical physics, it serve ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Two-dimensional Space
A two-dimensional space is a mathematical space with two dimensions, meaning points have two degrees of freedom: their locations can be locally described with two coordinates or they can move in two independent directions. Common two-dimensional spaces are often called '' planes'', or, more generally, '' surfaces''. These include analogs to physical spaces, like flat planes, and curved surfaces like spheres, cylinders, and cones, which can be infinite or finite. Some two-dimensional mathematical spaces are not used to represent physical positions, like an affine plane or complex plane. Flat The most basic example is the flat Euclidean plane, an idealization of a flat surface in physical space such as a sheet of paper or a chalkboard. On the Euclidean plane, any two points can be joined by a unique straight line along which the distance can be measured. The space is flat because any two lines transversed by a third line perpendicular to both of them are parallel, meaning the ... [...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, 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 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 used repository for small-molecule organic ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Microsoft Windows
Windows is a Product lining, product line of Proprietary software, proprietary graphical user interface, graphical operating systems developed and marketed by Microsoft. It is grouped into families and subfamilies that cater to particular sectors of the computing industry – Windows (unqualified) for a consumer or corporate workstation, Windows Server for a Server (computing), server and Windows IoT for an embedded system. Windows is sold as either a consumer retail product or licensed to Original equipment manufacturer, third-party hardware manufacturers who sell products Software bundles, bundled with Windows. The first version of Windows, Windows 1.0, 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). The name "Windows" is a reference to the windowing system in GUIs. The 1990 release of Windows 3.0 catapulted its market success and led to various other product families ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
