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: [cid:[email protected]] The molecule shown above is inhibitor GC373<https://go.drugbank.com/drugs/DB15797>. The backbone atoms appear in the trans configuration. But this kind of “trans” configuration is about the directionality of bonds around the C-N and C-C single bonds, so I was unable to use the double bond configuration method (by characters ‘\’ and ‘/’) to enforce this type of structure by SMILES… :’( My RDKit structure from SMILES looks like this: [VDgAn4AAAAASUVORK5CYII=]
My question is: Is it possible to adjust the drawing method so I can let the backbone atoms lay out in the most extended form (the trans configuration as shown in the ChemDraw picture)? Thank you for your time and kind advice in advance. Many Thanks, Amy -- Amy He Chemistry Graduate Teaching Assistant Hadad Research Group Ohio State University [email protected]
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