Older version

Is there any way to import a "smarts" string as a smarts in older version?


We are still using older version of JChem, but found a lot of problems with MolImporter.importMol(smiles). Upgrading is not an option right now, I think.

it seems this works fine without using new feature from 5.0, just FYI

Code:

MolHandler mh = new MolHandler("[c:1][c:2]CC",true); Molecule mol = mh.getMolecule();

Yes, you should import that way from smarts. Alternatively, you could use:





mol = MolImporter.importMol(smarts_expression, "smarts", null)





http://www.chemaxon.com/marvin/help/developer/beans/api/chemaxon/formats/MolImporter.html#importMol(java.lang.String,%20java.lang.String,%20java.lang.String)





Best regards,


Szabolcs

Older version I mean JChem 3.2.11, which I cannot find this function.

Szabolcs wrote:

Yes, you should import that way from smarts. Alternatively, you could use: mol = MolImporter.importMol(smarts_expression, "smarts", null) http://www.chemaxon.com/marvin/help/developer/beans/api/chemaxon/formats/MolImporter.html#importMol(java.lang.String,%20java.lang.String,%20java.lang.String) Best regards, Szabolcs

You are right, the only way in that version is to use MolHandler or instantiate MolImporter and set the import format to "smarts" or query mode to true on the instance:





http://www.chemaxon.com/marvin/help/developer/beans/api/chemaxon/formats/MolImporter.html#setOptions(java.lang.String)


http://www.chemaxon.com/marvin/help/developer/beans/api/chemaxon/formats/MolImporter.html#setQueryMode(boolean)





Thanks,


Szabolcs