Re: [Rdkit-discuss] elimination of small fragments

be the pragmatic solution. Desalting by removing the smallest fragment performs as expected - pyrollidinium tosylate - which part of the salt do you want to discard? If you don’t know it’s hard to create a heuristic. C1CC[NH2+]C1.Cc1ccc(cc1)S([O-])(=O)=O Ed Dr Ed Griffen, Technical Director, mobile

Re: [Rdkit-discuss] elimination of small fragments

s)) 13 obviously you do this after splitting on the . Best regards, Ed Dr Ed Griffen, Technical Director, mobile +44 7762 121593 office +44 1625 238843 ed.grif...@medchemica.com www.medchemica.com skype: ed.griffen Twitter: @MedChemica Medchemica Ltd is a company registered in England and Wales with com

[Rdkit-discuss] Depicting reactions to the same quality as molecules

Is there a reaction depiction option similar to the MolDraw2DCairo which produces much better depictions that the simple Chem.Draw PIL images? Or am I just doing this wrong? Attempting to push a reaction through MolDraw2DCairo fails with: Traceback (most recent call last): File