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Javascript Reaction Editor and Cheminformatics Library
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novakps/kemia
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Kemia Kemia is a javascript chemical structure and reaction editor and chemistry toolkit. To see what it can do, check out the demos at http://kemia.github.com Using Kemia <html> <head> <script src='http://kemia.github.com/js/kemia.js'/> <script> function initPage(){ var smiles = 'N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O'; var mol=kemia.io.smiles.SmilesParser.parse(smiles); kemia.layout.CoordinateGenerator.generate(mol); var renderer = new kemia.controller.ReactionEditor(goog.dom.getElement('kemia')); renderer.setModels([mol]); } </script> </head> <body onload="initPage()"> <fieldset> <legend>Glutathione disulphide</legend> <div id="kemia" style="width: 100%; height: 400px"></div> </filedset> </body> </html> Building Kemia Kemia depends on the Google Closure Library: http://http://code.google.com/closure/library/ It is compiled with the Plovr Closure build tool http://plovr.com/. Plovr is used both to compile the precompiled distribution file, as well as for dynamic compilation during development. The ant script build.xml includes targets to run Plovr and a slightly modified copy of the plovr.jar is included in the third-party folder. To build Kemia, you will also need Java 1.6+ and ant installed. The default target for the ant script is a usage guide, so executing 'ant' at the command prompt, in the base kemia directory, will output something like this: > ant Main targets: build-deps rebuild deps.js file build-docs build the JsDoc documentation clean delete generated files compile compile with plovr run-compile-server run plovr dynamic compilation server test Start Selenium ; Run Junit tests ; stop Selenium usage Display main targets by running 'ant -projecthelp' Default target: usage Executing "ant compile" will generate the minified and compiled library at build/kemia.js, this contains everything you need to start using Kemia in your webpage. Developing Kemia Executing "ant run-compile-server" will start the plovr dynamic compile server, see the Getting Involved Guide at http://kemia.github.com/ for more information.
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- JavaScript 97.4%
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