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JChemPaint
JChemPaint is computer software, a molecule editor and file viewer for chemical structures using 2D computer graphics.''JChemPaint - Using the Collaborative Forces of the Internet to Develop a Free Editor for 2D Chemical Structures'', Stefan Krause, Egon Willighagen and Christoph Steinbeck, ''Molecules'' 2000, 5, 93-98web version/ref> It is free and open-source software, released under a GNU Lesser General Public License (LGPL). It is written in Java and so can run on the operating systems Windows, macOS, Linux, and Unix. There is a ''standalone application'' (editor), and two varieties of ''applet'' (editor and viewer) that can be integrated into web pages. JChemPaint was initiated by Christoph Steinbeck and is currently being developed as part of The Chemistry Development Kit (CDK), and a Standard Widget Toolkit (SWT) based JChemPaint application is being developed, as part of Bioclipse. See also * List of molecular graphics systems * Comparison of software for molecular me ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Christoph Steinbeck
Christoph Steinbeck (born 1966 in Neuwied) is a German chemist and has a professorship for analytical chemistry, cheminformatics and chemometrics at the Friedrich-Schiller-Universität Jena in Thuringia, Germany. Education Steinbeck received his PhD from the University of Bonn in 1995 for work on LUCY, a software program for structural elucidation from nuclear magnetic resonance (NMR) correlation experiments. In 2003 he received his habilitation. Research Steinbeck's research interests have involved the elucidation of chemical structures of metabolites. He was one of the first chemists to develop open source tools for cheminformatics. He initiated JChemPaint, was founder of the Chemistry Development Kit, and is responsible for leading the team working on Chemical Entities of Biological Interest (ChEBI). He headed the Cheminformatics and Metabolomics group at the European Molecular Biology Laboratory-European Bioinformatics Institute in Cambridge, United Kingdom from 2008 to 2 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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, via 2D computer graphics or 3D computer graphics, respectively. Two-dimensional output is used as illustrations or to query chemical databases. Three-dimensional output is used to build molecular models, usually as part of molecular modelling software packages. Database molecular editors such as Leatherface, RECAP, and Molecule Slicer allow large numbers of molecules to be modified automatically according to rules such as 'deprotonate carboxylic acids' or 'break exocyclic bonds' that can be specified by a user. Molecule editors typically support reading and writing at least one file format or line notation. Examples of each include Molfile and simplified molecular input line entry specification (SMILES), respectively. Files generated by m ... [...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 deve ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
2D Computer Graphics
2D computer graphics is the computer-based generation of digital images—mostly from two-dimensional models (such as 2D geometric models, text, and digital images) and by techniques specific to them. It may refer to the branch of computer science that comprises such techniques or to the models themselves. 2D computer graphics are mainly used in applications that were originally developed upon traditional printing and drawing technologies, such as typography, cartography, technical drawing, advertising, etc. In those applications, the two-dimensional image is not just a representation of a real-world object, but an independent artifact with added semantic value; two-dimensional models are therefore preferred, because they give more direct control of the image than 3D computer graphics (whose approach is more akin to photography than to typography). In many domains, such as desktop publishing, engineering, and business, a description of a document based on 2D computer gra ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Free Chemistry Software
Free may refer to: Concept * Freedom, having the ability to do something, without having to obey anyone/anything * Freethought, a position that beliefs should be formed only on the basis of logic, reason, and empiricism * Emancipate, to procure political rights, as for a disenfranchised group * Free will, control exercised by rational agents over their actions and decisions * Free of charge, also known as gratis. See Gratis vs libre. Computing * Free (programming), a function that releases dynamically allocated memory for reuse * Free format, a file format which can be used without restrictions * Free software, software usable and distributable with few restrictions and no payment * Freeware, a broader class of software available at no cost Mathematics * Free object ** Free abelian group ** Free algebra ** Free group ** Free module ** Free semigroup * Free variable People * Free (surname) * Free (rapper) (born 1968), or Free Marie, American rapper and media personali ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemistry Software
Chemistry is the scientific study of the properties and behavior of matter. It is a natural science that covers the elements that make up matter to the compounds made of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during a reaction with other substances. Chemistry also addresses the nature of chemical bonds in chemical compounds. In the scope of its subject, chemistry occupies an intermediate position between physics and biology. It is sometimes called the central science because it provides a foundation for understanding both basic and applied scientific disciplines at a fundamental level. For example, chemistry explains aspects of plant growth (botany), the formation of igneous rocks (geology), how atmospheric ozone is formed and how environmental pollutants are degraded (ecology), the properties of the soil on the moon ( cosmochemistry), how medications work (pharmacology), and how to collect DNA evidence ... [...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 Molecular modeling on GPU is the technique of using a graphics processing unit (GPU) for molecular simulations. In 2007, NVIDIA introduced video cards that could be used not only to show graphics but also for scientific calculations. These cards ... * Molecule editor Notes and references External linksSINCRIS [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Bioclipse
The Bioclipse project is a Java-based, open-source, visual platform for chemo- and bioinformatics based on the Eclipse Rich Client Platform (RCP). It gained scripting functionality in 2009, and a command line version in 2021. Like any RCP application, Bioclipse uses a plugin architecture that inherits basic functionality and visual interfaces from Eclipse, such as help system, software updates, preferences, cross-platform deployment etc. Via its plugins, Bioclipse provides functionality for chemo- and bioinformatics, and extension points that easily can be extended by other, possibly proprietary, plugins to provide additional functionality. The first stable release of Bioclipse includes a Chemistry Development Kit (CDK) plugin to provide a chemoinformatic backend, a Jmol plugin for 3D-visualization of molecules, and a BioJava plugin for sequence analysis. Recently, the R platform, using StatET, and OpenTox were added. Bioclipse is developed as a collaboration between the Prot ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Standard Widget Toolkit
The Standard Widget Toolkit (SWT) is a graphical widget toolkit for use with the Java platform. It was originally developed by Stephen Northover at IBM and is now maintained by the Eclipse Foundation in tandem with the Eclipse IDE. It is an alternative to the Abstract Window Toolkit (AWT) and Swing Java graphical user interface (GUI) toolkits provided by Sun Microsystems as part of the Java Platform, Standard Edition (J2SE). To display GUI elements, the SWT implementation accesses the native GUI libraries of the operating system using Java Native Interface (JNI) in a manner that is similar to those programs written using operating system-specific application programming interfaces (APIs). Programs that call SWT are portable, but the implementation of the toolkit, despite part of it being written in Java, is unique for each platform. The toolkit is free and open-source software distributed under the Eclipse Public License, which is approved by the Open Source Initiative. History ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Microsoft Windows
Windows is a group of several Proprietary software, proprietary graphical user interface, graphical operating system families developed and marketed by Microsoft. Each family caters to a certain sector of the computing industry. For example, Windows NT for consumers, Windows Server for servers, and Windows IoT for embedded systems. Defunct Windows families include Windows 9x, Windows Mobile, and Windows Phone. The first version of Windows 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). Windows is the most popular desktop operating system in the world, with Usage share of operating systems, 75% market share , according to StatCounter. However, Windows is not the most used operating system when including both mobile and desktop OSes, due to Android (operating system), Android's massive growth. , the most recent version of Windows is Windows 11 for consumer Personal compu ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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