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Original author(s) | Elsevier |
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Developer(s) | Symyx Technologies |
Initial release | 1996 1997 (1.0 Full release) [1] | (0.9 Beta)
Stable release | 2.6 SP7 / July 31, 2007 |
Operating system | Classic Mac OS, Microsoft Windows |
Platform | Internet Explorer, Mozilla Firefox |
Website | http://accelrys.com/products/collaborative-science/biovia-discovery-studio/ |
MDL Chime was a free plugin used by web browsers to display the three-dimensional structures of molecules. [2] and was based on the RasMol code. [3]
Chime was used by a wide range of biochemistry web sites for the visualization of macromolecules, many of which were linked to the World Index of Molecular Visualization Resources MolVisIndex.Org. Chime was also used until 2006 at the Protein Data Bank (PDB) to examine structures stored there.
Although available in 1996 in both Windows 95 and classic Mac OS versions for both Netscape and Internet Explorer browsers, development of Chime did not follow the move to Mac OS X for the Mac and support for Windows-based browsers other than Internet Explorer was limited (although it works well in Mozilla Firefox). One significant feature added in 1997 was the ability to display spectroscopic data in the form of the IUPAC JCAMP-DX protocols. Apart from this, most subsequent updates were for the installation package to follow the development of Windows and Internet Explorer. Accelrys announced in 2012 that Chime was no longer supported and would remain available for download until the end of 2012. [4] Chime was part of the ISIS product line acquired by Symyx Technologies from scientific publisher Elsevier in October 2007. Now Chime is owned by Dassault Systemes BIOVIA (formerly Accelrys), and has been merged into Discovery Studio, but no longer exists as a free browser plugin.
Chime largely has been superseded by Jmol, [5] a non-proprietary open-source Java molecular visualization application and JavaScript applet that has maintained most Chime command compatibility while adding numerous features.
Java applets were small applications written in the Java programming language, or another programming language that compiles to Java bytecode, and delivered to users in the form of Java bytecode. The user launched the Java applet from a web page, and the applet was then executed within a Java virtual machine (JVM) in a process separate from the web browser itself. A Java applet could appear in a frame of the web page, a new application window, a program from Sun called appletviewer, or a stand-alone tool for testing applets.
The Protein Data Bank (PDB) is a database for the three-dimensional structural data of large biological molecules, such as proteins and nucleic acids. The data, typically obtained by X-ray crystallography, NMR spectroscopy, or, increasingly, cryo-electron microscopy, and submitted by biologists and biochemists from around the world, are freely accessible on the Internet via the websites of its member organisations. The PDB is overseen by an organization called the Worldwide Protein Data Bank, wwPDB.
A kinemage is an interactive graphic scientific illustration. It often is used to visualize molecules, especially proteins although it can also represent other types of 3-dimensional data. The kinemage system is designed to optimize ease of use, interactive performance, and the perception and communication of detailed 3D information. The kinemage information is stored in a text file, human- and machine-readable, that describes the hierarchy of display objects and their properties, and includes optional explanatory text. The kinemage format is a defined chemical MIME type of 'chemical/x-kinemage' with the file extension '.kin'.
Visual Molecular Dynamics (VMD) is a molecular modelling and visualization computer program. VMD is developed mainly as a tool to view and analyze the results of molecular dynamics simulations. It also includes tools for working with volumetric data, sequence data, and arbitrary graphics objects. Molecular scenes can be exported to external rendering tools such as POV-Ray, RenderMan, Tachyon, Virtual Reality Modeling Language (VRML), and many others. Users can run their own Tcl and Python scripts within VMD as it includes embedded Tcl and Python interpreters. VMD runs on Unix, Apple Mac macOS, and Microsoft Windows. VMD is available to non-commercial users under a distribution-specific license which permits both use of the program and modification of its source code, at no charge.
This is a comparison of both historical and current web browsers based on developer, engine, platform(s), releases, license, and cost.
A chemical file format is a type of data file which is used specifically for 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 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.
Mozilla Firefox has features that allow it to be distinguished from other web browsers, such as Chrome and Internet Explorer.
RasMol is a computer program written for molecular graphics visualization intended and used mainly to depict and explore biological macromolecule structures, such as those found in the Protein Data Bank (PDB).
Netscape Plugin Application Programming Interface (NPAPI) is a deprecated application programming interface (API) for web browser plugins, initially developed for Netscape Navigator 2.0 in 1995 and subsequently adopted by other browsers.
Jmol is computer software for molecular modelling chemical structures in 3-dimensions. Jmol returns a 3D representation of a molecule that may be used as a teaching tool, or for research e.g., in chemistry and biochemistry.
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.
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.
BALL is a C++ class framework and set of algorithms and data structures for molecular modelling and computational structural bioinformatics, a Python interface to this library, and a graphical user interface to BALL, the molecule viewer BALLView.
Modeller, often stylized as MODELLER, is a computer program used for homology modeling to produce models of protein tertiary structures and quaternary structures (rarer). It implements a method inspired by nuclear magnetic resonance spectroscopy of proteins, termed satisfaction of spatial restraints, by which a set of geometrical criteria are used to create a probability density function for the location of each atom in the protein. The method relies on an input sequence alignment between the target amino acid sequence to be modeled and a template protein which structure has been solved.
Sirius is a molecular modelling and analysis system developed at San Diego Supercomputer Center. Sirius is designed to support advanced user requirements that go beyond simple display of small molecules and proteins. Sirius supports high quality interactive 3D graphics, structure building, displaying protein or DNA primary sequences, access to remote data sources, and visualizing molecular dynamics trajectories. It can be used for scientific visualization and analysis, and chemistry and biology instruction.
Ribbon diagrams, also known as Richardson diagrams, are 3D schematic representations of protein structure and are one of the most common methods of protein depiction used today. The ribbon depicts the general course and organisation of the protein backbone in 3D and serves as a visual framework for hanging details of the entire atomic structure, such as the balls for the oxygen atoms attached to myoglobin's active site in the adjacent figure. Ribbon diagrams are generated by interpolating a smooth curve through the polypeptide backbone. α-helices are shown as coiled ribbons or thick tubes, β-sheets as arrows, and non-repetitive coils or loops as lines or thin tubes. The direction of the polypeptide chain is shown locally by the arrows, and may be indicated overall by a colour ramp along the length of the ribbon.
Chemical Computing Group is a software company specializing in research software for computational chemistry, bioinformatics, cheminformatics, docking, pharmacophore searching and molecular simulation. The company's main customer base consists of pharmaceutical and biotechnology companies, as well as academic research groups. It is a private company that was founded in 1994; it is based in Montreal, Quebec, Canada. Its main product, Molecular Operating Environment (MOE), is written in a self-contained programming system, the Scientific Vector Language (SVL).
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.