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Molecular Editor
A notable 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 genera ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Computer Program
A computer program is a sequence or set of instructions in a programming language for a computer to Execution (computing), execute. It is one component of software, which also includes software documentation, documentation and other intangible components. A ''computer program'' in its human-readable form is called source code. Source code needs another computer program to Execution (computing), execute because computers can only execute their native machine instructions. Therefore, source code may be Translator (computing), translated to machine instructions using a compiler written for the language. (Assembly language programs are translated using an Assembler (computing), assembler.) The resulting file is called an executable. Alternatively, source code may execute within an interpreter (computing), interpreter written for the language. If the executable is requested for execution, then the operating system Loader (computing), loads it into Random-access memory, memory and ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Agile Molecule
Agile may refer to: * Agile, an entity that possesses agility Project management * Agile software development, a development method * Agile construction, iterative and incremental construction method * Agile learning, the application of incremental and iterative methods to learning processes * Agile manufacturing, an organization able to respond quickly to customer needs and market changes * Agile management, the application of the principles of Agile software development and lean management to various management processes * Agile marketing, flexible and adaptable marketing using agile constructs Military * AIM-95 Agile, an air-to-air missile * HMS ''Agile'', a never-built ''Amphion''-class submarine * Project AGILE, a 1960s ARPA program * USS ''Agile'', two minesweepers Other uses * AGILE (satellite) (''Astro-rivelatore Gamma a Immagini LEggero''), an astronomical satellite of the Italian Space Agency * Agile (horse) (born 1902), American thoroughbred racehorse, winner of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ascalaph Designer
Ascalaph Designer is a computer program for general purpose molecular modelling for molecular design and simulations. It provides a graphical environment for the common programs of quantum and classical molecular modelling ORCA, NWChem, Firefly, CP2K and MDynaMix . The molecular mechanics calculations cover model building, energy optimizations and molecular dynamics. Firefly (formerly named PC GAMESS) covers a wide range of quantum chemistry methods. Ascalaph Designer is free and open-source software, released under the GNU General Public License, version 2 (GPLv2). Key features Uses See also * List of software for molecular mechanics modeling * Molecular design software * Molecule editor * Abalone Abalone ( or ; via Spanish , from Rumsen language, Rumsen ''aulón'') is a common name for any small to very large marine life, marine gastropod mollusc in the family (biology), family Haliotidae, which once contained six genera but now cont ... References Exter ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Zuse Institute Berlin
The Zuse Institute Berlin (abbreviated ZIB, or ''Konrad-Zuse-Zentrum für Informationstechnik Berlin'') is a research institute for applied mathematics and computer science on the campus of Freie Universität Berlin in Dahlem, Berlin, Germany. The ZIB was founded by law as a statutory establishment and as a non-university research institute of the State of Berlin in 1984. In close interdisciplinary cooperation with the Berlin universities and scientific institutions Zuse Institute implements research and development in the field of information technology with a particular focus on application-oriented algorithmic mathematics and practical computer science. ZIB also provides high-performance computer capacity as an accompanying service as part of the ''Network of high performance computers in Northern Germany'' (Norddeutscher Verbund von Hoch- und Höchstleistungsrechnern (HLRN)). Konrad Zuse, born in Berlin in 1910, is the namesake of the ZIB. SCIP (optimization software) ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Visage Imaging
Visage may refer to: *Face or facial features *Visage Mobile, an American software as a service company * Visage, Georgia, a community in the United States * "Visage" (nightclub), a nightclub and live music venue formerly located in Orlando, Florida * ''Visage'' (film), also known as ''Face'', a 2009 French film * ''Visage'' (video game), a survival horror game by SadSquare Studio. *"Visage", a 2003 episode of ''Smallville'' *Venus In Situ Atmospheric and Geochemical Explorer (VISAGE), a 2017 Venus lander proposal by NASA Music *"Visage", a 1961 electro-acoustic work by Luciano Berio *Visage (band), a British pop group ** ''Visage'' (Visage album), a 1980 album by Visage ** "Visage" (song), a 1981 song by Visage ** ''Visage'' (EP), a 1981 compilation EP by Visage ** ''Visage'' (video), a 1986 compilation video by Visage * ''Visage'' (Rob Brown album), a 2000 album by jazz saxophonist Rob Brown *"Visage", a 1968 song by Nicoletta (singer) People with the surname * Bertrand Visage ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Amira (software)
Amira () is a software platform for visualization, processing, and analysis of 3D and 4D data. It is being actively developed by Thermo Fisher Scientific in collaboration with the Zuse Institute Berlin (ZIB), and commercially distributed by Thermo Fisher Scientific — together with its sister software Avizo. Overview Amira is an extendable software system for scientific visualization, data analysis, and presentation of 3D and 4D data. It is used by thousands of researchers and engineers in academia and industry around the world. Its flexible user interface and modular architecture make it a universal tool for processing and analysis of data from various modalities; e.g. micro-CT, PET, Ultrasound. Its ever-expanding functionality has made it a versatile data analysis and visualization solution, applicable to and being used in many fields, such as microscopy in biology and materials science, molecular biology, quantum physics, astrophysics, computational fluid dynamics (CF ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
OpenBabel
Open Babel is a free chemical informatics software designed to facilitate the conversion of Chemical file formats and manage molecular data. It serves as a chemical expert system, widely used in fields such as cheminformatics, molecular modelling, and computational chemistry. Open Babel provides both a comprehensive library and command-line utilities, making it a versatile tool for researchers, developers, and professionals. 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 fo ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
XDrawChem
XDrawChem is a free software program for drawing chemical structural formulas, available for Unix and macOS. It is distributed under the GNU GPL. In Microsoft Windows this program is called WinDrawChem. Major features * Fixed length and fixed angle drawing * Automatic alignment of figures * Detection of structures, text, and arrows, and their automatic placement * Can automatically draw rings and other structures - has all standard amino acids and nucleic acids in a built-in library * Retrieval of structures from a network database based on CAS number, formula, or name * Retrieval of information on a molecule based on a drawing * Symbols such as partial charge and radicals * Reading MDL Molfiles, CML (Chemical Markup Language), ChemDraw binary format, ChemDraw XML text format * Writing MDL Molfiles, CML, ChemDraw XML text format * Integration with OpenBabel, allowing XDrawChem to read and write over 20 different chemical file formats. * Image export in Portable Network Graphics ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Java (programming Language)
Java is a High-level programming language, high-level, General-purpose programming language, general-purpose, Memory safety, memory-safe, object-oriented programming, object-oriented programming language. It is intended to let programmers ''write once, run anywhere'' (Write once, run anywhere, WORA), meaning that compiler, compiled Java code can run on all platforms that support Java without the need to recompile. Java applications are typically compiled to Java bytecode, bytecode that can run on any Java virtual machine (JVM) regardless of the underlying computer architecture. The syntax (programming languages), syntax of Java is similar to C (programming language), C and C++, but has fewer low-level programming language, low-level facilities than either of them. The Java runtime provides dynamic capabilities (such as Reflective programming, reflection and runtime code modification) that are typically not available in traditional compiled languages. Java gained popularity sh ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cross-platform
Within computing, cross-platform software (also called multi-platform software, platform-agnostic software, or platform-independent software) is computer software that is designed to work in several Computing platform, computing platforms. Some cross-platform software requires a separate build for each platform, but some can be directly run on any platform without special preparation, being written in an interpreted language or compiled to portable bytecode for which the Interpreter (computing), interpreters or run-time packages are common or standard components of all supported platforms. For example, a cross-platform application software, application may run on Linux, macOS and Microsoft Windows. Cross-platform software may run on many platforms, or as few as two. Some frameworks for cross-platform development are Codename One, ArkUI-X, Kivy (framework), Kivy, Qt (software), Qt, GTK, Flutter (software), Flutter, NativeScript, Xamarin, Apache Cordova, Ionic (mobile app framework ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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 molecula ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
