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 <pablo.ra...@covestro.com>: > 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 module. This > allows me to display the reaction picture by providing the above SMARTS > according to AllChem.ReactionFromSmarts(Reaction). > > > > However, I just want to display the left part from the reaction (Ammonia + > Formaldehyde), without the arrow and the products. I am especially > interested in this module because the molecular structures look quite > beautiful and I have the ‘+’ symbol in the picture. > > > > There is another issue regarding this. I would like to express the bonds > with straight lines instead of dotted ones (that come up by default) > > > > Thank you! > > > > Best regards, > > > > *Pablo Ramos* > > Ph.D. at Covestro Deutschland AG > > > > > > covestro.com <http://www.covestro.com> > > *Telephone* > > +49 214 6009 7356 > > > > Covestro Deutschland AG > > COVDEAG-Chief Commer-PUR-R&D-EMEA-PMD > > B103, R164 > > 51365 Leverkusen, Germany > > *pablo.ra...@covestro.com <pablo.ra...@covestro.com>* > > > > The processing of personal data is necessary to communicate and provide > our services. Read more here: privacy-information > <https://www.covestro.com/-/media/covestro/country%20sites/global/documents/Data_Privacy_Note%202018_EN> > . > Please manually add the sentence in your language* here*. Please make > sure that this link is not lost when the sentence is transferred (Copy à > Paste à “Merge Formatting”). > > > > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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