[Rdkit-discuss] Fingerprint visualization drawings

2022-12-29 Thread Ling Chan
Dear Colleagues, Happy New Year! I am trying to make some illustrations regarding the meaning of fingerprint bits. Thanks to Jan Jensen for the tips at the recent post of https://sourceforge.net/p/rdkit/mailman/message/37734537/ . I just wonder if there is any manual for the fingerprint drawing

Re: [Rdkit-discuss] Error: free(): double free detected in tcache 2 (going from pickles to mol)

2022-12-29 Thread Jason Biggs
Jason Biggs On Thu, Dec 29, 2022 at 3:22 PM Jarod Younker wrote: > The code compiles fine, but I’m running into a memory deallocation issue > in ‘Dummy’ if I use ROMol derived from pickled strings: > > > > Error: free(): double free detected in tcache 2 > > > > If, however, I go from pickle

[Rdkit-discuss] Error: free(): double free detected in tcache 2 (going from pickles to mol)

2022-12-29 Thread Jarod Younker
The code compiles fine, but I’m running into a memory deallocation issue in ‘Dummy’ if I use ROMol derived from pickled strings: Error: free(): double free detected in tcache 2 If, however, I go from pickle to SMILES and then to ROMol there is no memory error. Somewhere, I’m deallocating