Instructions

The interface is rather self-explanatory. However, here you can find some tips concerning the use of Marvin applets, interactive inspection of the results with Chime functions, and the meaning of some symbols.


Interface for structure submission

Detailed documentation of the Java molecular editor is available from ChemAxon web site. You can go to this web site by clicking on the 'Help' button. A frequent question is how to define stereochemistry - double click over the bond button on the left panel and choose the type of bond.

Beyond the obvious functions of the editor, it is possible to import a mol file to the editor. You have to click on  at the top left to detach the applet, then go to the Edit menu, and choose Source. Clear the window and paste the entire content of your mol file. Then choose Import in the File menu, and click again on  to attach the applet.


Interface for visualization of predictions



Simulated NMR Spectrum

To print the spectrum you may need to transfer the screen image (PrtScn) to an image visualizer.

Another interface to SPINUS is available via http://www.nmrdb.org/predictor

If you use SPINUS please cite the papers:

Last updated 9 April 2010