![]() ![]() Despite this, the editor was a huge step forward from previous text-only entry, enabling relatively easy interactive input of molecules on the web by medicinal chemists and it boosted the use of interactive cheminformatics services on the Ciba-Geigy intranet. The disadvantage of this approach was that for every structural change, the program required a new connection to the server, where a native application had to be launched before responding to the client. ![]() The click coordinates, together with the desired action, were sent to the server, where the structure was modified and a new molecular image was sent back. The user had to select the required editing action from a menu and then click the atom or bond that should be modified. The structure to be modified was displayed on the web page as an image. This editor was based on so called "clickable map" technology. The first "true" web structure editor, which allowed creation and modification of molecules directly within a web page was developed at Ciba-Geigy (later Novartis) as part of the in-house web-based cheminformatics system (Figure (Figure2). Text-based structure entry notation used at the PRODRG2 server. An overview of these types of molecule editors is available as a chapter in the cheminformatics textbook, as well as in an on-line review of chemical drawing programs. DOWNLOAD MARVIN SKETCH FOR MAC WINDOWSThese programs require relatively complex installation before use and are platform dependent, available in most cases only on Windows PCs. In addition to this type of tools, various molecular drawing programs are available also as so called plugins. Only "true" platform independent web editors which can run in any standard web browser will be covered here. In this overview a history of entering molecules into web applications will be covered, starting from simple text entry boxes, continuing with the current situation dominated by Java applets and finally modern Ajax server-side molecule editors and future technologies, like pure client editors based on JavaScript, will be discussed. Chemistry is no exception from this trend and input of molecular structures directly within a web browser is therefore of utmost importance. Scientific computing is moving more and more in the direction of web services and cloud computing, with servers scattered all around the Internet, and the web browser becoming the universal scientific user interface. The World Wide Web, introduced originally as a medium for exchange of scientific information, is affecting now practically all aspects of our life, but scientific and technical applications still benefit proportionally more from the web technology. In this overview only 2D molecule editors used for chemical structure input on the web will be covered. There are two types of molecule editors: 3D editors, supporting creation of 3D molecular structures, mainly for use in molecular modeling applications, and 2D editors generating "flat" 2D molecule representations used as input to various molecular processing services, such as searches of chemical databases or the creation of chemical illustrations. Its function is to facilitate entry of molecules or reactions into an computer with help of mouse and keyboard actions. Such a program is known as a molecule editor, molecular editor or structure sketcher. And finally, the possible future direction of web-based molecule editing, based on technologies like JavaScript and Flash, is discussed.Ī program for the input and editing of molecules is an indispensable part of every cheminformatics or molecular processing system. Modern Ajax server-side molecule editors are also presented. One typical example - the popular JME Molecule Editor - will be described in more detail. The review covers a history of web-based structure input, starting with simple text entry boxes and early molecule editors based on clickable maps, before moving to the current situation dominated by Java applets. Thus a web browser has become the universal scientific user interface, and a tool to edit molecules directly within the web browser is essential. ![]() ![]() Scientific computing is now moving more and more in the direction of web services and cloud computing, with servers scattered all around the Internet. This review focuses on a special type of molecule editors, namely those that are used for molecule structure input on the web. A molecule editor, that is program for input and editing of molecules, is an indispensable part of every cheminformatics or molecular processing system. ![]()
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |