________________________________ 发件人: Cao Xuan 发送时间: 2019年1月3日 0:25 收件人: rdkit-discuss@lists.sourceforge.net 主题: Reading the fingerprint
Hi All, Is that possible to store the fingerprint on disk in string or byte format, and then read the fingerprint by initialize an empty DataStructs.cDataStructs.ExplicitBitVect() (I tried to call SetBit() and SetBitFromList() but no success). I also found the post https://sourceforge.net/p/rdkit/mailman/message/28969251/ but it is using C++, while I am using the python. # bit_binary_text = DataStructs.cDataStructs.BitVectToBinaryText(fps) temp_bitvect = DataStructs.cDataStructs.ExplicitBitVect(bit_binary_text) ValueError: bad version in BitVect pickle The reason that I want to read fingerprint from disk is because I want to do similarity check with rdkit.DataStructs.FingerprintSimilarity(fp1, fp2, metric=<Boost.Python.function object>). Thank you for help! Xuan
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
