Also, it is a lot of fun to draw the 2D molecules on the iPad! But the 3D model does not work in mobile Safari yet. Second, the site is a great tool for showing/learning the connection been nomenclature and structure (what's the difference between 1-butene and 2-butene?), as well as the connection between 2D and 3D structure (cyclohexane is not flat like benzene!).Ĭurrently, in order to see the 3D model you need to use the Chrome or Firefox 4 browser. *Also, there is actually an easier way as explained in the comments. UPDATE: Kevin has informed me that the coordinates you get are the 2D coordinates from the sketcher. In the screencast I show how to save the file and load it into Avogadro for minimization and GAMESS input file generation. And of course you can modify the structure further, using aspirin as a starting point. generate the coordinates of), say, aspirin, than typing 'aspirin'.

I have written about ' 2D to 3D building' before, but what makes this site special is the integration with MolGrabber combined with Chemical Indentifier Resolver by Markus Sitzmann, which generates 3D coordinates.įirst, I can't think of an easier way* to build (i.e.

Kevin Theisen and his colleagues over at iChemLabs have made a very useful web page that is both a great builder and a great educational tool.

Chemdoodle sketcher