import sd file into multiple tables

Hi,


Is there any way to import an sd file containing data that should be stored in several different tables?


I have a large sd file with lots of fields that correspond to a 'complex' db hierarchy. Lot of SD file fileds corresponds to a 'one-to-many' scheme: one structure-several identical type of property(but different values).


Can I add this hierarchy to the store process or I need to handle it another way?





Thank you


Peter

Hi Peter,





It is not currently possible directly.





There will be relational data handling in the upcoming Instant JChem 2.0 version, but that will come with RDF import/export only. In a subsequent 2.x version we plan to provide simple "one structure to many data fields" relation support for SDF import (e.g. import multiple vendor catalogs into a single master-detail database), but it is further away.





I suggest to write some custom Java code for your current task. The needed classes will be:

• http://www.chemaxon.com/marvin/doc/api/chemaxon/formats/MolImporter.html
  
  
  For importing the SDF to memory (into Molecule objects).
  
  
  
• http://www.chemaxon.com/marvin/doc/api/chemaxon/struc/Molecule.html
  
  
  See getProperty(), getPropertyCount(), etc. methods.
  
  
  
• http://www.chemaxon.com/jchem/doc/api/chemaxon/jchem/db/UpdateHandler.html
  
  
  To insert into JChem tables
  
  
  
• http://java.sun.com/javase/technologies/database/
  
  
  Use JDBC directly to insert into non-JChem tables
  
  
  

Let us know if you need further help or usage examples.





Regards,


Szabolcs

Thank you for the hints!


peter