Is the mol string preserved in db

Hi,


I am working on JChem database. I modified the mol string and stored in the Jchem database, But on retrieving I do not get the same string back. I am getting the same string only sometimes.





For example if I modify my molString as follows..





Abcde 110305082755





2 1 0 0 0 99 V2000


15.0000 16.0000 0.0000 C 0 0 0 0 0 0


25.0000 10.0000 0.0000 O 0 0 0 0 0 0


1 2 3 0 0


M ABC 2 1 2 2 2


M END





I would like to retrieve the same string always.





May I know under what circumstances it gets changed when I retrieve it.





Thank you

Hi,





Sorry for answering a bit late.





In general JChem stores the structures exactly as the original input in the cd_structure field, but:





1. Some file formats (including mol) are compressed during import.


This can be disabled from the jcman GUI:


http://www.chemaxon.com/jchem/doc/admin/#options


You can also decompress the structures by calling MdlCompressor:


http://www.chemaxon.com/jchem/doc/api/chemaxon/formats/MdlCompressor.html


Use 0 for decompression:

Code:

bytes=MdlCompressor.convert(bytes, 0);

2. Data fields from SDF files are removed, since they are stored in additional data columns in the database.





Apart from these, the structure source should remain the same.


It should also remain the same during export if you export to the same file format as the input.


Do you access the cd_structure field or do you export the structures ?





If you experience changes in the source apart from the mentioned, please let me know your jchem version, and describe how do you exactly insert / retrieve the structures (GUI, API, etc.).





Best regards,





Szilard