Collaborative Computational Project Number 4
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Collaborative Computational Project Number 4
The Collaborative Computational Project Number 4 in protein crystallography (CCP4) was set up in 1979 in the United Kingdom to support collaboration between researchers working in software development and assemble a comprehensive collection of software for structural biology. The CCP4 core team is located at the Research Complex at Harwell (RCaH) at Rutherford Appleton Laboratory (RAL) in Didcot, near Oxford, UK. CCP4 was originally supported by the UK Science and Engineering Research Council (SERC), and is now supported by the Biotechnology and Biological Sciences Research Council Biotechnology and Biological Sciences Research Council (BBSRC), part of UK Research and Innovation, is a non-departmental public body (NDPB), and is the largest UK public funder of non-medical bioscience. It predominantly funds scientific rese ... (BBSRC). The project is coordinated at CCLRC Daresbury Laboratory. The results of this effort gave rise to the CCP4 program suite,M.D. Winn, C.C. Balla ...
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UNIX
Unix (; trademarked as UNIX) is a family of multitasking, multiuser computer operating systems that derive from the original AT&T Unix, whose development started in 1969 at the Bell Labs research center by Ken Thompson, Dennis Ritchie, and others. Initially intended for use inside the Bell System, AT&T licensed Unix to outside parties in the late 1970s, leading to a variety of both academic and commercial Unix variants from vendors including University of California, Berkeley (Berkeley Software Distribution, BSD), Microsoft (Xenix), Sun Microsystems (SunOS/Solaris (operating system), Solaris), Hewlett-Packard, HP/Hewlett Packard Enterprise, HPE (HP-UX), and IBM (IBM AIX, AIX). In the early 1990s, AT&T sold its rights in Unix to Novell, which then sold the UNIX trademark to The Open Group, an industry consortium founded in 1996. The Open Group allows the use of the mark for certified operating systems that comply with the Single UNIX Specification (SUS). Unix systems are chara ...
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Rutherford Appleton Laboratory
The Rutherford Appleton Laboratory (RAL) is one of the national scientific research laboratories in the UK operated by the Science and Technology Facilities Council (STFC). It began as the Rutherford High Energy Laboratory, merged with the Atlas Computer Laboratory in 1975 to create the Rutherford Lab; then in 1979 with the Appleton Laboratory to form the current laboratory. It is located on the Harwell Science and Innovation Campus at Chilton near Didcot in Oxfordshire, United Kingdom. It has a staff of approximately 1,200 people who support the work of over 10,000 scientists and engineers, chiefly from the university research community. The laboratory's programme is designed to deliver trained manpower and economic growth for the UK as the result of achievements in science. History RAL is named after the physicists Ernest Rutherford and Edward Appleton. The National Institute for Research in Nuclear Science (NIRNS) was formed in 1957 to operate the Rutherford High Energy La ...
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Medical Research Council (United Kingdom)
The Medical Research Council (MRC) is responsible for co-coordinating and funding medical research in the United Kingdom. It is part of United Kingdom Research and Innovation (UKRI), which came into operation 1 April 2018, and brings together the UK's seven research councils, Innovate UK and Research England. UK Research and Innovation is answerable to, although politically independent from, the Department for Business, Energy and Industrial Strategy. The MRC focuses on high-impact research and has provided the financial support and scientific expertise behind a number of medical breakthroughs, including the development of penicillin and the discovery of the structure of DNA. Research funded by the MRC has produced 32 Nobel Prize winners to date. History The MRC was founded as the Medical Research Committee and Advisory Council in 1913, with its prime role being the distribution of medical research funds under the terms of the National Insurance Act 1911. This was a consequen ...
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Crystallography
Crystallography is the experimental science of determining the arrangement of atoms in crystalline solids. Crystallography is a fundamental subject in the fields of materials science and solid-state physics (condensed matter physics). The word "crystallography" is derived from the Greek word κρύσταλλος (''krystallos'') "clear ice, rock-crystal", with its meaning extending to all solids with some degree of transparency, and γράφειν (''graphein'') "to write". In July 2012, the United Nations recognised the importance of the science of crystallography by proclaiming that 2014 would be the International Year of Crystallography. denote a direction vector (in real space). * Coordinates in ''angle brackets'' or ''chevrons'' such as <100> denote a ''family'' of directions which are related by symmetry operations. In the cubic crystal system for example, would mean 00 10 01/nowiki> or the negative of any of those directions. * Miller indices in ''parentheses'' ...
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CCP4 (file Format)
The CCP4 file format is file generated by the Collaborative Computational Project Number 4 in 1979. The file format for electron density has become industry standard in X-ray crystallography and Cryo-electron microscopy where the result of the technique is a three-dimensional grid of voxels each with a value corresponding to density of electrons (see wave function) The CCP4 format is supported by almost every molecular graphics suite that supports volumetric data. The major packages include: *Visual molecular dynamics *PyMOL *UCSF Chimera *Bsoft *Coot *MOE See also *MTZ (file format) *MRC (file format) * EZD (file format) *Chemical file format **Protein Data Bank (file format) *Voxel In 3D computer graphics, a voxel represents a value on a regular grid in three-dimensional space. As with pixels in a 2D bitmap, voxels themselves do not typically have their position (i.e. coordinates) explicitly encoded with their values. Ins ... - one way of presenting 3D densities Externa ...
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Coot (software)
The program Coot (Crystallographic Object-Oriented Toolkit) is used to display and manipulate atomic models of macromolecules, typically of proteins or nucleic acids, using 3D computer graphics. It is primarily focused on building and validation of atomic models into three-dimensional electron density maps obtained by X-ray crystallography methods, although it has also been applied to data from electron microscopy. Overview Coot displays electron density maps and atomic models and allows model manipulations such as idealization, real space refinement, manual rotation/translation, rigid-body fitting, ligand search, solvation, mutations, rotamers, and Ramachandran idealization. The software is designed to be easy-to-learn for novice users, achieved by ensuring that tools for common tasks are 'discoverable' through familiar user interface elements (menus and toolbars), or by intuitive behaviour (mouse controls). Recent developments have enhanced the usability of the software for exp ...
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Daresbury Laboratory
Daresbury Laboratory is a scientific research laboratory based at Sci-Tech Daresbury campus near Daresbury in Halton, Cheshire, England. The laboratory began operations in 1962 and was officially opened on 16 June 1967 as the Daresbury Nuclear Physics Laboratory by the then Prime Minister of United Kingdom, Harold Wilson. It was the second national laboratory established by the British National Institute for Research in Nuclear Science, following the Rutherford High Energy Laboratory (now Rutherford Appleton Laboratory). It is operated by the Science and Technology Facilities Council, part of UK Research and Innovation. As of 2018, it employs around 300 staff, with Paul Vernon appointed as director in November 2020, taking over from Professor Susan Smith who had been director from 2012. Description Daresbury Laboratory carries out research in fields such as accelerator science, bio-medicine, physics, chemistry, materials, engineering and computational science. Its facilities ar ...
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Biotechnology And Biological Sciences Research Council
Biotechnology and Biological Sciences Research Council (BBSRC), part of UK Research and Innovation, is a non-departmental public body (NDPB), and is the largest UK public funder of non-medical bioscience. It predominantly funds scientific research institutes and university research departments in the UK. Purpose Receiving its funding through the science budget of the Department for Business, Energy and Industrial Strategy (BEIS), BBSRC's mission is to "promote and support, by any means, high-quality basic, strategic and applied research and related postgraduate training relating to the understanding and exploitation of biological systems". Structure BBSRC's head office is at Polaris House in Swindon - the same building as the other councils of UK Research and Innovation, AHRC EPSRC, ESRC, Innovate UK, MRC, NERC, Research England and STFC, as well as the UKSA. Funded by Government, BBSRC invested over £498 million in bioscience in 2017–18. BBSRC also manages the joint ...
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Science And Engineering Research Council
The Science and Engineering Research Council (SERC) and its predecessor the Science Research Council (SRC) were the UK agencies in charge of publicly funded scientific and engineering research activities, including astronomy, biotechnology and biological sciences, space research and particle physics, between 1965 and 1994. History The SERC also had oversight of: * the Royal Greenwich Observatory (RGO) * the Royal Observatory Edinburgh (ROE) * the Rutherford Appleton Laboratory (RAL) * the Daresbury Laboratory From its formation in 1965 until 1981 it was known as the Science Research Council (SRC). The SRC had been formed in 1965 as a result of the Trend Committee enquiry into the organisation of civil science in the UK. Previously the Minister for Science had been responsible for various research activities in the Department of Scientific and Industrial Research (DSIR) and more loosely with a variety of agencies concerned with the formulation of civil scientific policy. One ...
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Didcot
Didcot ( ) is a railway town and civil parish in the ceremonial county of Oxfordshire and the historic county of Berkshire. Didcot is south of Oxford, east of Wantage and north west of Reading. The town is noted for its railway heritage, Didcot station opening as a junction station on the Great Western Main Line in 1844. Today the town is known for the railway museum and power stations, and is the gateway town to the Science Vale: three large science and technology centres in the surrounding villages of Milton (Milton Park), Culham (Culham Science Centre) and Harwell (Harwell Science and Innovation Campus which includes the Rutherford Appleton Laboratory). History Ancient and Medieval eras The area around present-day Didcot has been inhabited for at least 9,000 years. A large archaeological dig between 2010 and 2013 produced finds from the Mesolithic, Neolithic, Iron Age and Bronze Age. In the Roman era the inhabitants of the area tried to drain the marshland by digging di ...
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Structural Biology
Structural biology is a field that is many centuries old which, and as defined by the Journal of Structural Biology, deals with structural analysis of living material (formed, composed of, and/or maintained and refined by living cells) at every level of organization. Early structural biologists throughout the 19th and early 20th centuries were primarily only able to study structures to the limit of the naked eye's visual acuity and through magnifying glasses and light microscopes. In the 20th century, a variety of experimental techniques were developed to examine the 3D structures of biological molecules. The most prominent techniques are X-ray crystallography, nuclear magnetic resonance, and electron microscopy. Through the discovery of X-rays and its applications to protein crystals, structural biology was revolutionized, as now scientists could obtain the three-dimensional structures of biological molecules in atomic detail. Likewise, NMR spectroscopy allowed information about p ...
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Linux
Linux ( or ) is a family of open-source Unix-like operating systems based on the Linux kernel, an operating system kernel first released on September 17, 1991, by Linus Torvalds. Linux is typically packaged as a Linux distribution, which includes the kernel and supporting system software and libraries, many of which are provided by the GNU Project. Many Linux distributions use the word "Linux" in their name, but the Free Software Foundation uses the name "GNU/Linux" to emphasize the importance of GNU software, causing some controversy. Popular Linux distributions include Debian, Fedora Linux, and Ubuntu, the latter of which itself consists of many different distributions and modifications, including Lubuntu and Xubuntu. Commercial distributions include Red Hat Enterprise Linux and SUSE Linux Enterprise. Desktop Linux distributions include a windowing system such as X11 or Wayland, and a desktop environment such as GNOME or KDE Plasma. Distributions intended for ser ...
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