[Rdkit-discuss] Legend for reaction components

Hello all, Is it possible to add a legend to individual reaction components if I use DrawReaction, like with MolsToGridImage or DrawMolecule? I'm trying to display a reaction that has identifiers (ex: A, B, P1) below each component. I'm currently drawing the reaction with DrawReaction. The

Re: [Rdkit-discuss] Web-front end for PostgreSQL database with RDKit cartridge

Hi Charmaine, As an alternative, I can recommend Django and django-rdkit , which are more geared towards multi-page applications. Cheers, Adam 2022年7月5日(火) 12:43 Axel Pahl : > Hi Charmaine, > > coming from Python, for

Re: [Rdkit-discuss] Forcing depiction to match input mol block

wedging from an input mol file (we > probably should add this), but you can find a good one here, as part of the > ChEMBL structure pipeline: > > https://github.com/chembl/ChEMBL_Structure_Pipeline/blob/master/chembl_structure_pipeline/standardizer.py#L469 > > -greg > > > On Tue

[Rdkit-discuss] Forcing depiction to match input mol block

Hello Everyone, I'm having some trouble trying to depict molecules the exact same way as the input mol block (V2000) was drawn. My main problem is that I've drawn in a wedge bond between atoms 1 and 7 (the right hand side of the cyclopropyl ring), and RDKit depicts the molecule with a wedge bond

Re: [Rdkit-discuss] RDKit_minimal.js running out of memory

t the end of the > loop to free the memory for the next round. > HTH, > Dave > > > On Tue, 25 Jan 2022 at 20:46, Ádám Baróthi wrote: > >> Hello everyone, >> >> I'm currently experimenting with the Javascript wrapper for RDKit, >> thinking that I coul

[Rdkit-discuss] RDKit_minimal.js running out of memory

Hello everyone, I'm currently experimenting with the Javascript wrapper for RDKit, thinking that I could offload image generation and descriptor calculations to the client. I have a list of 1555 SMILES right now that I'm trying to convert to mol objects with RDKit.get_mol(), but after