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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 Gra ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
XDrawChem 1
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 Gra ... [...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 ) * ''fil ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular 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 ... [...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 c ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Free Software Programmed In Fortran
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 personal ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Free Software Programmed In C++
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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Free Science 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 person ... [...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] |
SourceForge
SourceForge is a web service that offers software consumers a centralized online location to control and manage open-source software projects and research business software. It provides source code repository hosting, bug tracking, mirroring of downloads for load balancing, a wiki for documentation, developer and user mailing lists, user-support forums, user-written reviews and ratings, a news bulletin, micro-blog for publishing project updates, and other features. SourceForge was one of the first to offer this service free of charge to open-source projects. Since 2012, the website has run on Apache Allura software. SourceForge offers free hosting and free access to tools for developers of free and open-source software. , the SourceForge repository claimed to host more than 502,000 projects and had more than 3.7 million registered users. Concept SourceForge is a web-based source code repository. It acts as a centralized location for free and open-source software p ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Enthalpy
Enthalpy , a property of a thermodynamic system, is the sum of the system's internal energy and the product of its pressure and volume. It is a state function used in many measurements in chemical, biological, and physical systems at a constant pressure, which is conveniently provided by the large ambient atmosphere. The pressure–volume term expresses the work required to establish the system's physical dimensions, i.e. to make room for it by displacing its surroundings. The pressure-volume term is very small for solids and liquids at common conditions, and fairly small for gases. Therefore, enthalpy is a stand-in for energy in chemical systems; bond, lattice, solvation and other "energies" in chemistry are actually enthalpy differences. As a state function, enthalpy depends only on the final configuration of internal energy, pressure, and volume, not on the path taken to achieve it. In the International System of Units (SI), the unit of measurement for enthalpy is the joule ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Octanol-water Partition Coefficient
The ''n''-octanol-water partition coefficient, ''K''ow is a partition coefficient for the two-phase system consisting of ''n''-octanol and water. ''K''ow is also frequently referred to by the symbol P, especially in the English literature. It is also called ''n''-octanol-water partition ratio. ''K''ow serves as a measure of the relationship between lipophilicity (fat solubility) and hydrophilicity (water solubility) of a substance. The value is greater than one if a substance is more soluble in fat-like solvents such as n-octanol, and less than one if it is more soluble in water. If a substance is present as several chemical species in the octanol-water system due to association or dissociation, each species is assigned its own ''K''ow value. A related value, D, does not distinguish between different species, only indicating the concentration ratio of the substance between the two phases. History In 1899, Charles Ernest Overton and Hans Horst Meyer independently proposed t ... [...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 an ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
