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MDL Chime
MDL ''Chime'' was a free plugin used by web browsers to display the three-dimensional structures of molecules. and was based on the RasMol code. Chime was used by a wide range of biochemistry web sites for the visualization of macromolecules, many of which were linked to the ''World Index of Molecular Visualization Resources'' MolVisIndex.Org. Chime was also used until 2006 at the Protein Data Bank to examine structures stored there. Although available in 1996 in both Windows 95 and classic Mac OS versions for both Netscape and Internet Explorer browsers, development of Chime did not follow the move to Mac OS X for the Mac and support for Windows-based browsers other than Internet Explorer was limited (although it works well in Mozilla Firefox). One significant feature added in 1997 was the ability to display spectroscopic data in the form of the IUPAC JCAMP-DX protocols. Apart from this, most subsequent updates were for the installation package to follow the development of Wi ...
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Elsevier
Elsevier () is a Dutch academic publishing company specializing in scientific, technical, and medical content. Its products include journals such as ''The Lancet'', ''Cell'', the ScienceDirect collection of electronic journals, '' Trends'', the '' Current Opinion'' series, the online citation database Scopus, the SciVal tool for measuring research performance, the ClinicalKey search engine for clinicians, and the ClinicalPath evidence-based cancer care service. Elsevier's products and services also include digital tools for data management, instruction, research analytics and assessment. Elsevier is part of the RELX Group (known until 2015 as Reed Elsevier), a publicly traded company. According to RELX reports, in 2021 Elsevier published more than 600,000 articles annually in over 2,700 journals; as of 2018 its archives contained over 17 million documents and 40,000 e-books, with over one billion annual downloads. Researchers have criticized Elsevier for its high profit marg ...
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Macromolecules
A macromolecule is a very large molecule important to biophysical processes, such as a protein or nucleic acid. It is composed of thousands of covalently bonded atoms. Many macromolecules are polymers of smaller molecules called monomers. The most common macromolecules in biochemistry are biopolymers (nucleic acids, proteins, and carbohydrates) and large non-polymeric molecules such as lipids, nanogels and macrocycles. Synthetic fibers and experimental materials such as carbon nanotubes are also examples of macromolecules. Definition The term ''macromolecule'' (''macro-'' + ''molecule'') was coined by Nobel laureate Hermann Staudinger in the 1920s, although his first relevant publication on this field only mentions ''high molecular compounds'' (in excess of 1,000 atoms). At that time the term ''polymer'', as introduced by Berzelius in 1832, had a different meaning from that of today: it simply was another form of isomerism for example with benzene and acetylene and had little ...
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ISIS/Draw
ISIS/Draw was a chemical structure drawing program developed by MDL Information Systems. It introduced a number of file formats for the storage of chemical information that have become industry standards. History Molecular Design Limited (MDL) was founded by Stuart Marson and W. Todd Wipke in 1978, following the latter's experience with E. J. Corey in developing software for planning organic syntheses. The company developed software to store and search chemical structures in large databases under the brand name MACCS (Molecular ACCess System), which was targeted at pharmaceutical and agrochemical companies. MDL offered their ISIS (Integrated Scientific Information System) products including ISIS/Draw as components of the MACCS system, specifically to allow chemists to use a graphical interface to register new compounds into corporate databases and to search these databases by structure or part-structure. They also introduced ISIS/Base, a chemical database program suited to the sto ...
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List Of Molecular Graphics Systems
This is a list of notable software systems that are used for visualizing macromolecules. Key The tables below indicate which types of data can be visualized in each system: See also * Biological data visualization * Comparison of nucleic acid simulation software * Comparison of software for molecular mechanics modeling * List of microscopy visualization systems * List of open-source bioinformatics software * Molecular graphics * Molecule editor A molecule editor is a computer program for creating and modifying representations of chemical structures. Molecule editors can manipulate chemical structure representations in either a simulated two-dimensional space or three-dimensional space, v ... References External links * A rather detailed, objective, and technical assessment of about 20 tools. * * * {{Chemistry software Chemistry software molecular graphics systems Molecular modelling ...
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Open-source Software
Open-source software (OSS) is computer software that is released under a license in which the copyright holder grants users the rights to use, study, change, and distribute the software and its source code to anyone and for any purpose. Open-source software may be developed in a collaborative public manner. Open-source software is a prominent example of open collaboration, meaning any capable user is able to participate online in development, making the number of possible contributors indefinite. The ability to examine the code facilitates public trust in the software. Open-source software development can bring in diverse perspectives beyond those of a single company. A 2008 report by the Standish Group stated that adoption of open-source software models has resulted in savings of about $60 billion per year for consumers. Open source code can be used for studying and allows capable end users to adapt software to their personal needs in a similar way user scripts an ...
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Jmol
Jmol is computer software for molecular modelling chemical structures in 3-dimensions. Jmol returns a 3D representation of a molecule that may be used as a teaching tool, or for research e.g., in chemistry and biochemistry. It is written in the programming language Java, so it can run on the operating systems Windows, macOS, Linux, and Unix, if Java is installed. It is free and open-source software released under a GNU Lesser General Public License (LGPL) version 2.0. A standalone application and a software development kit (SDK) exist that can be integrated into other Java applications, such as Bioclipse and Taverna. A popular feature is an applet that can be integrated into web pages to display molecules in a variety of ways. For example, molecules can be displayed as ball-and-stick models, space-filling models, ribbon diagrams, etc. Jmol supports a wide range of chemical file formats, including Protein Data Bank (pdb), Crystallographic Information File (cif), MDL Molfile (mol ...
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Discovery Studio
Discovery Studio is a suite of software for simulating small molecule and macromolecule systems. It is developed and distributed bDassault Systemes BIOVIA(formerly Accelrys). The product suite has a stronacademic collaboration programme supporting scientific research and makes use of a number of software algorithms developed originally in the scientific community, including CHARMM, MODELLER, DELPHI, ZDOCK, DMol3 and more. Scope Discovery Studio provides software applications covering the following areas: * Simulations ** Including Molecular Mechanics, Molecular Dynamics, Quantum Mechanics ** For molecular mechanics based simulations: Include implicit and explicit-based solvent models and membrane models ** Also includes the ability to perform hybrid QM/MM calculations * Ligand Design ** Including tools for enumerating molecular libraries and library optimization * Pharmacophore modeling ** Including creation, validation and virtual screening * Structure-based Design ** Inclu ...
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Mac OS X
macOS (; previously OS X and originally Mac OS X) is a Unix operating system developed and marketed by Apple Inc. since 2001. It is the primary operating system for Apple's Mac (computer), Mac computers. Within the market of desktop and laptop computers it is the Usage share of operating systems#Desktop and laptop computers, second most widely used desktop OS, after Microsoft Windows and ahead of ChromeOS. macOS succeeded the classic Mac OS, a Mac operating system with nine releases from 1984 to 1999. During this time, Apple cofounder Steve Jobs had left Apple and started another company, NeXT Computer, NeXT, developing the NeXTSTEP platform that would later be acquired by Apple to form the basis of macOS. The first desktop version, Mac OS X 10.0, was released in March 2001, with its first update, 10.1, arriving later that year. All releases from Mac OS X Leopard, Mac OS X 10.5 Leopard and after are UNIX 03 certified, with an exception for OS X Lion, OS X 10. ...
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Netscape
Netscape Communications Corporation (originally Mosaic Communications Corporation) was an American independent computer services company with headquarters in Mountain View, California and then Dulles, Virginia. Its Netscape web browser was once dominant but lost to Internet Explorer and other competitors in the so-called first browser war, with its market share falling from more than 90 percent in the mid-1990s to less than 1 percent in 2006. An early Netscape employee Brendan Eich created the JavaScript programming language, the most widely used language for client-side scripting of web pages and a founding engineer of Netscape Lou Montulli created HTTP cookies. The company also developed SSL which was used for securing online communications before its successor TLS took over. Netscape stock traded from 1995 until 1999 when the company was acquired by AOL in a pooling-of-interests transaction ultimately worth US$10 billion.
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Classic Mac OS
Mac OS (originally System Software; retronym: Classic Mac OS) is the series of operating systems developed for the Macintosh family of personal computers by Apple Computer from 1984 to 2001, starting with System 1 and ending with Mac OS 9. The Macintosh operating system is credited with having popularized the graphical user interface concept. It was included with every Macintosh that was sold during the era in which it was developed, and many updates to the system software were done in conjunction with the introduction of new Macintosh systems. Apple released the Macintosh 128K, original Macintosh on January 24, 1984. The System 1, first version of the system software, which had no official name, was partially based on the Lisa OS, which Apple previously released for the Apple Lisa, Lisa computer in 1983. As part of an agreement allowing Xerox to buy Share (finance), shares in Apple at a favorable price, it also used concepts from the Xerox PARC Xerox Alto, Alto computer, which ...
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Windows 95
Windows 95 is a consumer-oriented operating system developed by Microsoft as part of its Windows 9x family of operating systems. The first operating system in the 9x family, it is the successor to Windows 3.1x, and was released to manufacturing on July 14, 1995, and generally to retail on August 24, 1995, almost three months after the release of Windows NT 3.51. Windows 95 merged Microsoft's formerly separate MS-DOS and Microsoft Windows products, and featured significant improvements over its predecessor, most notably in the graphical user interface (GUI) and in its simplified "plug-and-play" features. There were also major changes made to the core components of the operating system, such as moving from a mainly cooperatively multitasked 16-bit architecture to a 32-bit preemptive multitasking architecture, at least when running only 32-bit protected mode applications. Accompanied by an extensive marketing campaign, Windows 95 introduced numerous functions and features that w ...
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Protein Data Bank
The Protein Data Bank (PDB) is a database for the three-dimensional structural data of large biological molecules, such as proteins and nucleic acids. The data, typically obtained by X-ray crystallography, NMR spectroscopy, or, increasingly, cryo-electron microscopy, and submitted by biologists and biochemists from around the world, are freely accessible on the Internet via the websites of its member organisations (PDBe, PDBj, RCSB, and BMRB). The PDB is overseen by an organization called the Worldwide Protein Data Bank, wwPDB. The PDB is a key in areas of structural biology, such as structural genomics. Most major scientific journals and some funding agencies now require scientists to submit their structure data to the PDB. Many other databases use protein structures deposited in the PDB. For example, SCOP and CATH classify protein structures, while PDBsum provides a graphic overview of PDB entries using information from other sources, such as Gene ontology. History Two force ...
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