Search error on R-group search with multiple substituents

Hi Chemaxon,

On JChem 6.2, I am getting the following error:

chemaxon.sss.search.UnsupportedQueryException: Unsupported query for rgroup search.
Caused by: Unsupported query for rgroup search.
Caused by: Attachment point (attInd#2) is inconsistent!

using the attached query structure. Multiple substituents used to work though.

I understand v6.2 introduced some search exceptions for certain R-group searches, but I do not think the query structure attached falls under any of those conditions. I could be mistaken.

Any guidance on this issue would be much appreciated.

Thanks,

Xiao

Hi Xiao,

We could reproduce the issue, and start to investigate why the exception comes.

Will be back soon.

Krisztina

Hi Xiao,

Thank you for drawing our attention to the problem that R-group structures drawn by MarvinJS don't entirely suit the requirements of R-group search. We will solve this question.

Till then, please use classic Marvin to draw R-group structures (see the attached structure).

Best regards,

Krisztina

Hi Krisztina,

Thanks for the reply and help. I was wondering which release this change might make it into and whether it would be a JChem upgrade or a Marvin4JS upgrade?

Xiao

Hi Xiao,

v6.3 of Marvin4JS  - to be released in this month - will include the fix.

Krisztina

Best regards,