How to import string information of structure to jchemBase?

User 22c88daf92

22-10-2012 02:21:48

hello!


We can use Jchem Manager to import sdf or mol file, but if we want to import a structure by mol string or other string information ( not  from  file) to JchemBase, which API can be used?


Is there any examples?


thanks!


 

ChemAxon abe887c64e

24-10-2012 14:48:19

Hi,


We advice you to apply the methods setStructre of the class UpdateHandler:


http://www.chemaxon.com/jchem/doc/dev/java/api/chemaxon/jchem/db/UpdateHandler.html#setStructure%28java.lang.String%29


Krisztina

User 22c88daf92

29-10-2012 07:50:49










kvajda wrote:

Hi,


We advice you to apply the methods setStructre of the class UpdateHandler:


http://www.chemaxon.com/jchem/doc/dev/java/api/chemaxon/jchem/db/UpdateHandler.html#setStructure%28java.lang.String%29


Krisztina



thank you!


We  want to know how to insert a molecule into chemBase through our java program, for example, the following java code:


 


    public static int importMol2DB(String  molStr)  // insert  this molecule to jchemBase by java API


 {     
     Connection con = null;
   Class.forName(driver);
   con = DriverManager.getConnection(url, userName, password);
   ConnectionHandler conHandler = new ConnectionHandler(con, propTableName);// connect to jchemBase
  
     Importer importer=new Importer();// could we use class Importer to insert molecule string?
      ........
     importer.setConnectionHandler(conHandler);     
     importer.setTableName(structTableName);     
     importer.setHaltOnError(false);
     importer.setDuplicateImportAllowed(true);


      importer.setInput(molStr);  //how to use this API or other methods to insert molecule string?
      importer.importMols();
      ........
     importer.init();  
     System.out.println(" Done.");
     
     return 0;
    }


Could you give me an  java example to above function? thanks!

ChemAxon abe887c64e

29-10-2012 08:01:20

Please, find JChem code examples here: https://www.chemaxon.com/jchem/examples/java/html/index.html

ChemAxon efa1591b5a

31-10-2012 10:07:48

Hi,


Did this document help? Do you have any further question?


Thanks


Miklos

User 22c88daf92

01-11-2012 08:57:44










mvargyas wrote:

Hi,


Did this document help? Do you have any further question?


Thanks


Miklos




hello! 


We have solve this question by using this document,  thank you very much !


If we have any further question, we will ask again,  thanks!


Yang