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Encyclopedia > Molecule editor

A molecule editor is a computer program for drawing and editing chemical structures. The resulting two-dimensional (flat) representations of molecules or chemical reactions can be used as illustrations or for querying chemical databases. There also exist three-dimensional molecule editors for the construction of molecule models, usually as part of molecular modelling software packages. A computer program is a collection of instructions that describe a task, or set of tasks, to be carried out by a computer. ... Chemical structure refers to the spatial arrangement of atoms in a molecule and the chemical bonds that hold the atoms together. ... Dimension (from Latin measured out) is, in essence, the number of degrees of freedom available for movement in a space. ... In chemistry, a molecule is an aggregate of two or more atoms in a definite arrangement held together by chemical bonds [1] [2] [3] [4] [5]. Chemical substances are not infinitely divisible into smaller fractions of the same substance: a molecule is generally considered the smallest particle of a pure... A chemical reaction occurs when vapours of hydrogen chloride in a beaker and ammonia in a test tube meet to form a cloud of a new substance, ammonium chloride A chemical reaction is a process that results in the interconversion of chemical substances [1]. The substance or substances initially involved... To meet Wikipedias content policies, the external links section for this article may require cleanup. ... The rewrite of this article is being devised at Talk:3D computer graphics/Temp. ... Molecular modelling is a collective term that refers to theoretical methods and computational techniques to model or mimic the behaviour of molecules. ...


Most molecule editors use proprietary file formats, but most can read and write several file formats, including SMILES, a short ASCII-representation of molecules. Proprietary indicates that a party, or proprietor, exercises private ownership, control or use over an item of property, usually to the exclusion of other parties. ... A file format is a particular way to encode information for storage in a computer file. ... The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of chemical molecules using short ASCII strings. ... There are 95 printable ASCII characters, numbered 32 to 126. ...


Files generated by two- or three-dimensional molecule editors can also be displayed by molecular graphics tools, which can be realized as a small applet to show molecules in web pages. Molecular graphics is the discipline and philosophy of studying molecules and their properties through graphical representation. ... An applet is a software component that runs in the context of another program, for example a web browser. ...

Contents

Molecule editors

Standalone programs

This article or section does not cite its references or sources. ... CambridgeSoft, based in Cambridge, Massachusetts, USA, is a software and consulting company which supplies consulting, enterprise software, and desktop scientific software to pharmaceutical, chemical, and related industries and research institutes. ... Open source refers to projects that are open to the public and which draw on other projects that are freely available to the general public. ... The GNU logo The GNU General Public License (GNU GPL or simply GPL) is a widely used free software license, originally written by Richard Stallman for the GNU project. ... Python is a programming language created by Guido van Rossum in 1990. ... Open source refers to projects that are open to the public and which draw on other projects that are freely available to the general public. ... The BSD license is a permissive license and is one of the most widely used free software licenses. ... C is a general-purpose, procedural, imperative computer programming language developed in 1972 by Dennis Ritchie at the Bell Telephone Laboratories for use with the Unix operating system. ... Open source refers to projects that are open to the public and which draw on other projects that are freely available to the general public. ... GNU logo The GNU Lesser General Public License (formerly the GNU Library General Public License) is an FSF approved Free Software license designed as a compromise between the GNU General Public License and simple permissive licenses such as the BSD license and the MIT License. ... Java is an object-oriented programming language developed by Sun Microsystems in the early 1990s. ... The Chemistry Development Kit is an open source Java library for Chemoinformatics and Bioinformatics. ... XDrawChem is a free software program for drawing chemical structural formulas, available for Windows, Unix, and Mac OS. It is distributed under the GNU GPL. Major features Fixed length and fixed angle drawing Automatic alignment of figures Detection of structures, text, and arrows, and their automatically placement Can automatically draw... Open source refers to projects that are open to the public and which draw on other projects that are freely available to the general public. ... The GNU logo The GNU General Public License (GNU GPL or simply GPL) is a widely used free software license, originally written by Richard Stallman for the GNU project. ... C++ (pronounced see plus plus, IPA: ) is a general-purpose, high-level programming language with low-level facilities. ... OpenBabel is free software, a chemical expert system mainly used for converting chemical file formats. ...

Applets

  • SDA from ACD/Labs
  • JME from molinspiration
  • ChemAxon's MarvinSketch: chemical editor Java Applet implementation. ::Free for free web pages. ::Free on your desktop.
  • ChemAxon's MarvinSpace: 3D macromolecular visualization and ligand editing. ::Free for free web pages. :: Free on your desktop.
  • JChemPaint: Open Source, LGPL Java, demo.

Open source refers to projects that are open to the public and which draw on other projects that are freely available to the general public. ... GNU logo The GNU Lesser General Public License (formerly the GNU Library General Public License) is an FSF approved Free Software license designed as a compromise between the GNU General Public License and simple permissive licenses such as the BSD license and the MIT License. ... Java is an object-oriented programming language developed by Sun Microsystems in the early 1990s. ...

Online editors

A natural smile without teeth showing A natural smile with teeth showing In physiology, a smile is a facial expression formed by flexing muscles most notably near both ends of the mouth, but also around the eyes. ... InChI is the IUPACs International Chemical Identifier. ...

See also


  Results from FactBites:
 
Researchers demonstrate single molecule absorption spectroscopy (453 words)
Unlike single molecule fluorescence spectroscopy, which is now a commonly used measurement technique, single molecule absorption spectroscopy has been an elusive goal.
"First, the sample molecule is placed on a transparent silicon substrate," said Joseph Lyding, a professor of electrical and computer engineering and a researcher at the Beckman Institute.
"Single molecule absorption spectroscopy is an extremely sensitive technique for analytical chemistry, for measuring electrical properties of molecules, and for studying energy transfer on surfaces," Gruebele said.
Molecule editor - Wikipedia, the free encyclopedia (158 words)
A molecule editor is a computer program for drawing and editing chemical structures.
There also exist three-dimensional molecule editors for the construction of molecule models, usually as part of molecular modelling software packages.
Files generated by two- or three-dimensional molecule editors can also be displayed by a molecule viewer, which can be realized as a small applet to show molecules in web pages.
  More results at FactBites »

 
 

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