Re: [Rdkit-discuss] Drawing the sum of reactive molecules

2020-02-07 Thread Taka Seri
Hi Pablo, How about call ReactionFromSmarts with useSmiles = True? With the option, RDKit can render the reaction from smiles instead of smarts. https://www.rdkit.org/docs/source/rdkit.Chem.rdChemReactions.html Kind regards, Taka 2020年2月7日(金) 23:00 Pablo Ramos : > Dear all, > > > > I am trying

[Rdkit-discuss] Drawing the sum of reactive molecules

2020-02-07 Thread Pablo Ramos
Dear all, I am trying to draw a nice picture with the sum of two molecules that react giving some product. Let´s assume the next SMARTS, in which ammonia and formaldehyde react (Hydrogen atoms are omitted): Reaction = C=O.N>>NC=O.[H][H] I know that rdkit contains the rdkit.Chem.rdChemReactions