Hi All, Is there a python function (or any simple way whatsoever) to create a substructure mol object from another one based on the given atom indices? In C++ this could apparently be done with getMolFragsWithQuery, but that does not seem to be much used in python wrappers...
Best, Juuso ------------------------------------------------------------------------------ Developer Access Program for Intel Xeon Phi Processors Access to Intel Xeon Phi processor-based developer platforms. With one year of Intel Parallel Studio XE. Training and support from Colfax. Order your platform today. http://sdm.link/xeonphi _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

