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JME Molecule Editor
The JME Molecule Editor is a molecule editor Java applet with which users make and edit drawings of molecules and reactions (including generating substructure queries), and can display molecules within an HTML page. The editor can generate Daylight simplified molecular-input line-entry system (SMILES) or MDL Molfiles of the created structures. The JME Editor was written by Peter Ertl while at Comenius University in Bratislava, and then at Ciba-Geigy, later merged with Sandoz Laboratories, to form Novartis International AG, in Basel, Switzerland. It is released as freeware for noncommercial use and has become a standard for molecular-structure input on the web. JSME JME has been ported to JavaScript using the Google Web Toolkit (GWT). In analogy to JME, the JavaScript version is named JSME. Its interface is almost identical to that of JME, although some cosmetic options are available. It is released as free and open-source software under a 3-clause BSD license in the form of mi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Comenius University
Comenius University in Bratislava ( sk, Univerzita Komenského v Bratislave) is the largest university in Slovakia, with most of its faculties located in Bratislava. It was founded in 1919, shortly after the creation of Czechoslovakia. It is named after Jan Amos Comenius, a 17th-century Czech teacher and philosopher. In 2020, Comenius University had more about 23,000 students and 2,500 faculty members. As are most universities in Slovakia, it is funded mostly by the government. History The Comenius University was established in 1919 with assistance from the more established University of Prague. It was meant to replace the former Elisabeth University which was located in Bratislava since 1912 as the latter had been forcefully disbanded in 1919 by Samuel Zoch, plenipotentiary župan of Slovakia, after Hungarian professors refused to take an oath of allegiance at that time in the First Czechoslovak Republic. This had caused the majority of the university's professors (and some of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
JavaScript
JavaScript (), often abbreviated as JS, is a programming language that is one of the core technologies of the World Wide Web, alongside HTML and CSS. As of 2022, 98% of Website, websites use JavaScript on the Client (computing), client side for Web page, webpage behavior, often incorporating third-party Library (computing), libraries. All major Web browser, web browsers have a dedicated JavaScript engine to execute the Source code, code on User (computing), users' devices. JavaScript is a High-level programming language, high-level, often Just-in-time compilation, just-in-time compiled language that conforms to the ECMAScript standard. It has dynamic typing, Prototype-based programming, prototype-based object-oriented programming, object-orientation, and first-class functions. It is Programming paradigm, multi-paradigm, supporting Event-driven programming, event-driven, functional programming, functional, and imperative programming, imperative programming paradigm, programmin ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Comparison Of Software For Molecular Mechanics Modeling
This is a list of computer programs that are predominantly used for molecular mechanics calculations. See also *Car–Parrinello molecular dynamics *Comparison of force-field implementations *Comparison of nucleic acid simulation software *List of molecular graphics systems *List of protein structure prediction software *List of quantum chemistry and solid-state physics software * List of software for Monte Carlo molecular modeling * List of software for nanostructures modeling *Molecular design software *Molecular dynamics *Molecular modeling on GPUs *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 ... Notes and references External linksSINCRIS [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cheminformatics
Cheminformatics (also known as chemoinformatics) refers to use of physical chemistry theory with computer and information science techniques—so called "''in silico''" techniques—in application to a range of descriptive and prescriptive problems in the field of chemistry, including in its applications to biology and related molecular fields. Such ''in silico'' techniques are used, for example, by pharmaceutical companies and in academic settings to aid and inform the process of drug discovery, for instance in the design of well-defined combinatorial libraries of synthetic compounds, or to assist in structure-based drug design. The methods can also be used in chemical and allied industries, and such fields as environmental science and pharmacology, where chemical processes are involved or studied. History Cheminformatics has been an active field in various guises since the 1970s and earlier, with activity in academic departments and commercial pharmaceutical research and dev ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Scalable Vector Graphics
Scalable Vector Graphics (SVG) is an XML-based vector image format for defining two-dimensional graphics, having support for interactivity and animation. The SVG specification is an open standard developed by the World Wide Web Consortium since 1999. SVG images are defined in a vector graphics format and stored in XML text files. SVG images can thus be scaled in size without loss of quality, and SVG files can be searched, indexed, scripted, and compressed. The XML text files can be created and edited with text editors or vector graphics editors, and are rendered by the most-used web browsers. Overview SVG has been in development within the World Wide Web Consortium (W3C) since 1999 after six competing proposals for vector graphics languages had been submitted to the consortium during 1998 (see below). The early SVG Working Group decided not to develop any of the commercial submissions, but to create a new markup language that was informed by but not really based on any ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
InChI
The International Chemical Identifier (InChI or ) is a textual identifier for chemical substances, designed to provide a standard way to encode molecular information and to facilitate the search for such information in databases and on the web. Initially developed by the International Union of Pure and Applied Chemistry (IUPAC) and National Institute of Standards and Technology (NIST) from 2000 to 2005, the format and algorithms are non-proprietary. Since May 2009, it has been developed by the InChI Trust, a nonprofit charity from the United Kingdom which works to implement and promote the use of InChI. The identifiers describe chemical substances in terms of ''layers'' of information — the atoms and their bond connectivity, tautomeric information, isotope information, stereochemistry, and electronic charge information. Not all layers have to be provided; for instance, the tautomer layer can be omitted if that type of information is not relevant to the particular applica ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
SMILES
The simplified molecular-input line-entry system (SMILES) is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules. The original SMILES specification was initiated in the 1980s. It has since been modified and extended. In 2007, an open standard called OpenSMILES was developed in the open-source chemistry community. History The original SMILES specification was initiated by David Weininger at the USEPA Mid-Continent Ecology Division Laboratory in Duluth in the 1980s. Acknowledged for their parts in the early development were "Gilman Veith and Rose Russo (USEPA) and Albert Leo and Corwin Hansch (Pomona College) for supporting the work, and Arthur Weininger (Pomona; Daylight CIS) and Jeremy Scofield (Cedar River Software, Renton, WA) for assistance in programming ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Minified
Minification (also minimisation or minimization) is the process of removing all unnecessary characters from the source code of interpreted programming languages or markup languages without changing its functionality. These unnecessary characters usually include white space characters, new line characters, comments, and sometimes block delimiters, which are used to add readability to the code but are not required for it to execute. Minification reduces the size of the source code, making its transmission over a network (e.g. the Internet) more efficient. In programmer culture, aiming at extremely minified source code is the purpose of recreational code golf competitions. Minification can be distinguished from the more general concept of data compression in that the minified source can be interpreted immediately without the need for an uncompression step: the same interpreter can work with both the original as well as with the minified source. The goals of minification are not ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Free And Open-source Software
Free and open-source software (FOSS) is a term used to refer to groups of software consisting of both free software and open-source software where anyone is freely licensed to use, copy, study, and change the software in any way, and the source code is openly shared so that people are encouraged to voluntarily improve the design of the software. This is in contrast to proprietary software, where the software is under restrictive copyright licensing and the source code is usually hidden from the users. FOSS maintains the software user's civil liberty rights (see the Four Essential Freedoms, below). Other benefits of using FOSS can include decreased software costs, increased security and stability (especially in regard to malware), protecting privacy, education, and giving users more control over their own hardware. Free and open-source operating systems such as Linux and descendants of BSD are widely utilized today, powering millions of servers, desktops, smartphones (e.g., ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Google Web Toolkit
Google Web Toolkit (GWT ), or GWT Web Toolkit, is an open-source set of tools that allows web developers to create and maintain JavaScript front-end applications in Java. It is licensed under the Apache License 2.0. GWT emphasizes reusable approaches to everyday web development tasks, namely asynchronous remote procedure calls, history management, bookmarking, UI abstraction, internationalization, and cross-browser portability. History GWT version 1.0 RC 1 was released on May 16, 2006. Google announced GWT at the JavaOne conference in 2006. In August 2010, Google acquired Instantiations, a company known for focusing on Eclipse Java developer tools, including GWT Designer, which is now bundled with Google Plugin for Eclipse. In 2011 with the introduction of the Dart programming language, Google reassured the GWT community that GWT would continue to be supported for the foreseeable future but also hinted at a possible rapprochement between the two Google approaches t ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Porting
In software engineering, porting is the process of adapting software for the purpose of achieving some form of execution in a computing environment that is different from the one that a given program (meant for such execution) was originally designed for (e.g., different CPU, operating system, or third party library). The term is also used when software/hardware is changed to make them usable in different environments. Software is ''portable'' when the cost of porting it to a new platform is significantly less than the cost of writing it from scratch. The lower the cost of porting software relative to its implementation cost, the more portable it is said to be. Etymology The term "port" is derived from the Latin '' portāre'', meaning "to carry". When code is not compatible with a particular operating system or architecture, the code must be "carried" to the new system. The term is not generally applied to the process of adapting software to run with less memory on the sam ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
BSD Licenses
BSD licenses are a family of permissive free software licenses, imposing minimal restrictions on the use and distribution of covered software. This is in contrast to copyleft licenses, which have share-alike requirements. The original BSD license was used for its namesake, the Berkeley Software Distribution (BSD), a Unix-like operating system. The original version has since been revised, and its descendants are referred to as modified BSD licenses. BSD is both a license and a class of license (generally referred to as BSD-like). The modified BSD license (in wide use today) is very similar to the license originally used for the BSD version of Unix. The BSD license is a simple license that merely requires that all code retain the BSD license notice if redistributed in source code format, or reproduce the notice if redistributed in binary format. The BSD license (unlike some other licenses e.g. GPL) does not require that source code be distributed at all. Terms In addition to ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
