Re: [Rdkit-discuss] How to draw peptides and let the backbone atoms appear in the most extended form?

Hi Paolo, Thank you so much for your kind advice. Yes that works well for my compounds as they are mostly analogs to GC373. Thanks again for your kind help! Bests, Amy -- Amy He Chemistry Graduate Teaching Assistant Hadad Research Group Ohio State University he.1...@osu.edu From: Paolo Tosco

Re: [Rdkit-discuss] How to draw peptides and let the backbone atoms appear in the most extended form?

Hi Amy, the simplest way is probably to use Schroedinger's CoordGen to generate coordinates:: from rdkit import Chem from rdkit.Chem.Draw import rdDepictor rdDepictor.SetPreferCoordGen(True) peptide = Chem.MolFromSmiles("CC(C)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@ @H](CC1CCNC1=O)C=O")

[Rdkit-discuss] How to draw peptides and let the backbone atoms appear in the most extended form?

Dear RDKit Experts, I have a question about drawing peptidomimetic compounds. I wanted to draw the peptides and let the backbone atoms appear in the most extended form. Please see the following ChemDraw picture as an example for what I was trying to achieve: