Color all substructure hits

Hi,

Given a substructure query molecule and a target molecule, is there anyway to color all instances of the query molecule in the target molecule?

HitDisplayTool and HitDisplayUtils both seem to color only a single instance of the found substructure.

If not, is there any way to get all the hit bonds? Something like MolHandler.getNonHitBonds()?

Using JChem 6.1.0.

Regards,

Tyler

Hi Tyler,

Do we correctly understand that you would like to have all the colored substructure hit instances displayed within one target structure? If yes, unfortunately we do not have an already implemented solution, however, we can help you to create an appropriate code snippet.

Krisztina

Hi Krisztina,

Yes, that is what I would like to achieve. 

Tyler

Hi Tyler,

We are asking for your further patience; hopefully, this week we can send you the code.

Krisztina

Hi Tyler,

I've attached a sample code, how to color all the possible hits in the target. This simple program is not guaranteed to work with complex structures, e.g. those that contain link nodes, r-groups, s-groups, ...

In the main() method you can find some test cases.

Best regards,
Tamás