How to set the maximum molecular weight of fragments?

Hi, Everyone:


Do you know how to set the maximum molecular weight of fragments in the configuration? Fragmenter can achieive this? I would like to remove those so larger fragments. Thanks for your help!

Fragmenter can limit the fragments by atom count only, not by molecular weight. You can filter out the small fragments by a Chemical Terms filter after the fragmentation. For example:

Code:

mass() > 150

You can apply this filter in the jcsearch command line function or in the Instant JChem application.