How do I get SMIRKS String from reaction transformation?

How do I get SMIRKS String from reaction transformation I drew on Marvin Sketch? Thanks





Hao

Save As SMARTS


(or Edit/Source/View/SMARTS)





ChemAxon supports all SMARTS features, not just the SMIRKS subset in transforms.

I mean how do I get SMARTS or SMIRKS through API? Thanks

Use the Molecule.toFormat(String) method.





Example:

Code:

Molecule mol = ...; String smarts = mol.toFormat("smarts");

I hope this helps,


Zsolt

I know it sounds a little lazy, how do I get Molecule object from Marvin bean or Applet?

Please see the documentation.


Applet use JMSketch.getMol(String) or JMView.getM(int,String) methods.





See the following example:


http://www.chemaxon.com/marvin/examples/applets/sketch/js_io.html





By beans, you can use the following methods:


* MSketchPane.getMol()


* MSketchPane.getMol(String)


* MViewPane.getM(int)


* MViewPane.getM(int,String)





MarvinSketch Simple Bean Example demonstrates how to get molecule from API. But the further examples may be also useful for you: Marvin Beans Examples


By the way, searching on the forum, you can find further hits about it.