Hello, I'm not sure whether which forum is better, this one or the developers one, to post questions related to development issues with RDKit plugin included in knime.
Sorry if I was wrong choosing this one.
I'm developing a knime node that calculates RDKit fingerprints of a molecule, and which needs to know the fingerprint bits that each atom is involved in
I'm using the RDKFuncs.RDKFingerprintMol() method, and I'm interested in the atomBits parameter .
Unfortunately I'm not able to use this parameter in java, of SWIGTYPE_p_std__vectorT_std__vectorT_boost__uint32_t_t_t type, which is a SWIG translation for the std::vector<std::vector<boost::uint32_t>> C++ type.
I guess its conversion to a java type (maybe UInt_Vect_Vect?) is missing.
Is there an alternative way to get the rdk fingerprint atomBits parameter in Java?
Thanks in advance.