How do you ignore stereochemistry when importing structures

Hello,

Is there a way to ignore stereochemistry when detecting duplicates during import?  Or is this only possible in search via STEREO_IGNORE?

 

Here is what our import logic currently looks like.

 

178        final Importer importer = new Importer();

179        importer.setConnectionHandler(connectionHandler);

180        importer.setTableName(structureTableName);

181        importer.setDuplicateImportAllowed(true);

182        importer.setStoreImportedIDs(true);

183        importer.setStoreDuplicates(true);

Hi Scott,

It is not possible to ignore stereochemistry during the import into a table with 'Filter out duplicates' settings. The only possibility for modifying the default values of duplicate search in duplicate filtering is whether you want to consider tautomers as duplicates or not.

However, there is an other table option, the "Assume absolute stereo flag", which is switched on by default. This means, that for example L-alanine and D-alanine are not regarded as duplicates of each other. If you switch off "Assume absolute stereo flag", these two structures will be regarded as duplicates of each other. Please take care with that option, it handles structures with tetrahedral stereochemistry as racemates, which strongly affects the search results of this table. importer.setSetChiralFlag regulates this table option.

Best regards,

Krisztina