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Chemical Markup Language
Chemical Markup Language (ChemML or CML) is an approach to managing molecular information using tools such as XML and Java. It was the first domain specific implementation based strictly on XML, first based on a DTD and later on an XML Schema, the most robust and widely used system for precise information management in many areas. It has been developed over more than a decade by Murray-Rust, Rzepa and others and has been tested in many areas and on a variety of machines. Chemical information is traditionally stored in many different file types which inhibit reuse of the documents. CML uses XML's portability to help CML developers and chemists design interoperable documents. There are a number of tools that can generate, process and view CML documents. Publishers can distribute chemistry within XML documents by using CML, e.g. in RSS documents. CML is capable of supporting a wide range of chemical concepts including: * molecules * reactions * spectra and analytical data * com ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical File Format
A chemical file format is a type of data file which is used specifically to depicting molecular data. One of the most widely used is the chemical table file format, which is similar to ''Structure Data Format'' (SDF) files. They are text files that represent multiple chemical structure records and associated data fields. The XYZ file format is a simple format that usually gives the number of atoms in the first line, a comment on the second, followed by a number of lines with atomic symbols (or atomic numbers) and cartesian coordinates. The Protein Data Bank Format is commonly used for proteins but is also used for other types of molecules. There are many other types which are detailed below. Various software systems are available to convert from one format to another. Distinguishing formats Chemical information is usually provided as files or streams and many formats have been created, with varying degrees of documentation. The format is indicated in three ways:(see ) * ''f ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Comparison Of Document Markup Languages
The following tables compare general and technical information for a number of document markup languages. Please see the individual markup languages' articles for further information. General information Basic general information about the markup languages: creator, version, etc. Note: While Rich Text Format (RTF) is human readable, it is not considered to be a markup language and is thus excluded from the table. Characteristics Some characteristics of the markup languages. Notes See also * List of document markup languages * Comparison of Office Open XML and OpenDocument * Comparison of OpenXPS and PDF * Comparison of e-book formats * Comparison of data serialization formats This is a comparison of data serialization formats, various ways to convert complex objects to sequences of bits. It does not include markup languages used exclusively as document file formats. Overview Syntax comparison of human-readable form ... Document markup languages *Comparison of do ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Markup Languages
Markup language refers to a text-encoding system consisting of a set of symbols inserted in a text document to control its structure, formatting, or the relationship between its parts. Markup is often used to control the display of the document or to enrich its content to facilitating automated processing. A markup language is a set of rules governing what markup information may be included in a document and how it is combined with the content of the document in a way to facilitate use by humans and computer programs. The idea and terminology evolved from the "marking up" of paper manuscripts (i.e., the revision instructions by editors), which is traditionally written with a red pen or blue pencil on authors' manuscripts. Older markup languages, which typically focus on typography and presentation, include troff, TeX, and LaTeX. Scribe and most modern markup languages, for example XML, identify document components (for example headings, paragraphs, and tables), with the e ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
New J
New is an adjective referring to something recently made, discovered, or created. New or NEW may refer to: Music * New, singer of K-pop group The Boyz Albums and EPs * ''New'' (album), by Paul McCartney, 2013 * ''New'' (EP), by Regurgitator, 1995 Songs * "New" (Daya song), 2017 * "New" (Paul McCartney song), 2013 * "New" (No Doubt song), 1999 *"new", by Loona from '' Yves'', 2017 *"The New", by Interpol from ''Turn On the Bright Lights'', 2002 Acronyms * Net economic welfare, a proposed macroeconomic indicator * Net explosive weight, also known as net explosive quantity * Network of enlightened Women, a conservative university women's organization * Next Entertainment World, a South Korean film distribution company Identification codes * Nepal Bhasa language ISO 639 language code * New Century Financial Corporation (NYSE stock abbreviation) * Northeast Wrestling, a professional wrestling promotion in the northeastern United States Transport * New Orleans Lakefront Ai ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chem
Chem may refer to: * Chemistry practical waali mam *Chemistry *Chemical * ''Chem'' (journal), a scientific journal published by Cell Press *Post apocalyptic slang for "drugs", medicinal or otherwise in the Fallout video game series. In Ancient Egyptian usage: * ''Khem'' (also spelt ''Chem''), the Egyptian word for "black" * Min (god), in the past erroneously named ''Khem'' CHEM may refer to : *A metabolic panel: for instance, CHEM-7, which is the basic metabolic panel *CHEM-DT CHEM-DT is the TVA owned-and-operated television station in Trois-Rivières, Quebec, Canada. It broadcasts a high-definition digital signal on VHF channel 8 from a transmitter on Rue Principale in Notre-Dame-du-Mont-Carmel. Owned by the Grou ..., a Canadian television channel See also * Chemo (other) * Kemi, a place in Finland {{disambig ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
MathML
Mathematical Markup Language (MathML) is a mathematical markup language, an application of XML for describing mathematical notations and capturing both its structure and content. It aims at integrating mathematical formulae into World Wide Web pages and other documents. It is part of HTML5 and is a ISO/IEC standarISO/IEC 40314since 2015. History MathML 1 was released as a W3C recommendation in April 1998 as the first XML language to be recommended by the W3C. Version 1.01 of the format was released in July 1999 and version 2.0 appeared in February 2001. In October 2003, the second edition of MathML Version 2.0 was published as the final release by the W3C Math Working Group. MathML was originally designed before the finalization of XML namespaces. However, it was assigned a namespace immediately after the Namespace Recommendation was completed, and for XML use, the elements should be in the namespace with namespace URL http://www.w3.org/1998/Math/MathML. When MathML is used i ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Joint Committee On Atomic And Molecular Physical Data
The Joint Committee on Atomic and Molecular Physical Data (JCAMP) defined several JCAMP-DX (JCAMP-data exchange) file formats in chemistry. IUPAC The International Union of Pure and Applied Chemistry (IUPAC ) is an international federation of National Adhering Organizations working for the advancement of the chemical sciences, especially by developing nomenclature and terminology. It is ... took over the responsibility of maintaining and extending the JCAMP-DX standards from JCAMP in 1995.{{cite web , last1=Warr , first1=Wendy A. , title=IUPAC Project Meetings: Extensible Markup Language (XML) Data dictionaries and chemical identifier , year=2004 , url=https://warr.com/inchi.pdf References External links IUPAC CPEP The Subcommittee on Cheminformatics Data Standards (SCDS) Joint committees ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Avogadro (software)
Avogadro is a molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It is extensible via a plugin architecture. Features * Molecule builder-editor for Windows, Linux, Unix, and macOS. * All source code is licensed under the GNU General Public License (GPL) version 2. * Supported languages include: Chinese, English, French, German, Italian, Russian, Spanish, and Polish. * Supports multi-threaded rendering and computation. * Plugin architecture for developers, including rendering, interactive tools, commands, and Python scripts. * OpenBabel import of files, input generation for multiple computational chemistry packages, X-ray crystallography, and biomolecule A biomolecule or biological molecule is a loosely used term for molecules present in organisms that are essential to one or more typically biological processes, such as cell division, morphogenesis, or develo ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
OpenBabel
Open Babel is computer software, a chemical expert system mainly used to interconvert chemical file formats. About Due to the strong relationship to informatics this program belongs more to the category cheminformatics than to molecular modelling. It is available for Windows, Unix, Linux, macOS, and Android. It is free and open-source software released under a GNU General Public License (GPL) 2.0. The project's stated goal is: "Open Babel is a community-driven scientific project assisting both users and developers as a cross-platform program and library designed to support molecular modeling, chemistry, and many related areas, including interconversion of file formats and data." History Open Babel and JOELib were derived from the OELib cheminformatics library. In turn, OELib was based on ideas in the original chemistry program Babel and an unreleased object-oriented programming library called ''OBabel''. Major features * chemical expert system * interconversion of many chemica ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
JOELib
JOELib is computer software, a chemical expert system used mainly to interconvert chemical file formats. Because of its strong relationship to informatics, this program belongs more to the category cheminformatics than to molecular modelling. It is available for Windows, Unix and other operating systems supporting the programming language Java. It is free and open-source software distributed under the GNU General Public License (GPL) 2.0. History JOELib and OpenBabel were derived from the OELib Cheminformatics library. Logo The project logo is just the word JOELib in the Tengwar script of J. R. R. Tolkien. The letters are grouped as JO-E-Li-b. Vowels are usually grouped together with a consonant, but two following vowels must be separated by a helper construct. Major features * Chemical expert system * Query and substructure search (based on Simplified molecular-input line-entry system (SMARTS), a SMILES extension * Clique detection * QSAR ** Data mining ** Molecule mining, s ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemistry Development Kit
The Chemistry Development Kit (CDK) is computer software, a library in the programming language Java, for chemoinformatics and bioinformatics. It is available for Windows, Linux, Unix, and macOS. It is free and open-source software distributed under the GNU Lesser General Public License (LGPL) 2.0. History The CDK was created by Christoph Steinbeck, Egon Willighagen and Dan Gezelter, then developers of Jmol and JChemPaint, to provide a common code base, on 27–29 September 2000 at the University of Notre Dame. The first source code release was made on 11 May 2011. Since then more than 100 people have contributed to the project, leading to a rich set of functions, as given below. Between 2004 and 2007, ''CDK News'' was the project's newsletter of which all articles are available from a public archive. Due to an unsteady rate of contributions, the newsletter was put on hold. Later, unit testing, code quality checking, and Javadoc validation was introduced. Rajarshi Guha developed ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
