Search in JChem

User 963791cca3

05-03-2008 12:06:13

Dear Forum Readers:





As you can tell, I am a very novice user of Jchem. After a couple of weeks, we finally got JChem manager working and were able to import chemical structures.


1. Now, How should we perform search? this is NOT provided in any JChem toold..is that correct? I mean, either we should use command line (NO graphic, only text) or develop our own search engine? is that correct?





2. So then, how should I call this custom search from any JChem programs?


e.g. I am using reactor, and then I want to call search from within reactor, to find a particular reactant. can I do that? please advice.





thanks ,


vida

ChemAxon 9c0afc9aaf

05-03-2008 12:45:47

Hi Vida,
Quote:
1. Now, How should we perform search? this is NOT provided in any JChem toold..is that correct? I mean, either we should use command line (NO graphic, only text) or develop our own search engine? is that correct?
You can either





1. use "jcsearch" from command-line





2. Use the Instant JChem GUI (as desktop application or from Java Web Start) :


http://www.chemaxon.com/product/ijc.html


(this requires a license to connect to a non-local database)





3. use the JChemSearch class of our API in your Java code:


http://www.chemaxon.com/jchem/doc/api/chemaxon/jchem/db/JChemSearch.html





4. use JChem Cartridge for Oracle (from any SQL capable language):


http://www.chemaxon.com/product/jc_cart.html


(requires Cartridge license)





5. use our JNBridge components in you .NET application


(requires JNBridge license)
Quote:
2. So then, how should I call this custom search from any JChem programs?


e.g. I am using reactor, and then I want to call search from within reactor, to find a particular reactant. can I do that? please advice.
If you do not want to write a program, you can send the result of "jcsearch" to a file, and pass this file to "react".


Otherwise you can you can combine our tools in any way using our programming API.





Best regards,





Szilard