[BiO BB] [Bio BB] Split a ligand into meaningful fragments

Kalidas Yeturu ykalidas at gmail.com
Fri Feb 19 01:07:12 EST 2010

Dear All,

I would like to know if you have come across programs that split a
ligand into 'meaningful' fragments.

Assuming ligand to be a graph and cutting the non-cyclic edges may
lead to fragments containing just one or two atoms that are quite
distinct from biologically important fragments.

It would greatly help me if you can point me to some stand-alone
programs that carry out this task.

Thanks in advance.

With Regards
Kalidas Y


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