How to set the maximum molecular weight of fragments?

User 1ab5b26b13

23-07-2007 09:58:28

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!

ChemAxon d76e6e95eb

24-07-2007 09:04:52

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.