.NET component available?

User 7bf8f6dca7

06-03-2007 23:40:49

Hi,





I usually work on Java projects, so haven't had this need before, but now I need to be able to convert from mol format to smiles in a windows forms C# .NET application. The question is: is there any Chemaxon component that can be used for that purpose?





Thanks





Jesús

ChemAxon aa7c50abf8

07-03-2007 10:06:09

I suggest to use the MolHandler Java class from the JChem API (http://www.chemaxon.com/jchem/doc/api/chemaxon/util/MolHandler.html) in combination with the JNBridge tool to translate the Java API to .NET: http://www.chemaxon.com/NET_support_land.html. (For more advanced conversion fuctions you can also use the MolConverter Java class: http://www.chemaxon.com/marvin/doc/api/chemaxon/formats/MolConverter.html)





We provide an example of how to integrate Marvin with a .NET rich client: http://www.chemaxon.com/marvin/examples/ChemAxon.NET/GUI/doc/index.html . The only part of this example which is directly useful for your specific needs is the description of the configuration steps: http://www.chemaxon.com/marvin/examples/ChemAxon.NET/GUI/doc/index.html#settingup. The code you actually need is something like:


Code:
String myMolfile = ...


MolHandler mh = new MolHandler(myMolfile);


String smiles = mh.toFormat("smiles");





Let me know if this answers your question.





Peter

User 7bf8f6dca7

07-03-2007 14:20:57

Thanks for the answer. I am trying to download the requred components (marvin4[1].1.5_JnbProxies_2.0.dll and jnbrt_3_0.zip) but I'm getting empty files (0 K), do you know if there is a problem with the downloads?





Thanks a lot

ChemAxon aa7c50abf8

07-03-2007 14:34:37

I fixed the problem, I believe.





Please try downloading again.





Peter

User 7bf8f6dca7

08-03-2007 16:58:53

Yes, now it worked, thanks