R group attach point

Hi,

I have not upgraded my Marvin API for a long time. Now when I finally move to 5.9.2, some of my codes were broken. I could not find API to check whether an atom is attach point for a R group definition. atom.getRGroup() give 0 for all atoms in a R definition even through I defined attachpoint. can you show me the  trick to get attachpoint number (1 or 2).

Thanks

Hongzhou

 

Hello,

The attachment point handling has been changed since Marvin 5.4.
You can check whether the atom is an rgroup attachment with the atom.getAtno()==MolAtom.RGROUP_ATTACHMENT check.
The attached example code shows you more details about the new attachment point handling.
I hope this helps.

Regards,
Erika

Thank you Erika, How about different attach points? how to identify attach point 1 or 2 if happening on the same atom?

Hi,

I have modified the code example to show how to check the order of attachment points. Please note that the attachment point is the atom with atomic number MolAtom.RGROUP_ATTACHMENT.

Regards,

Erika