search

reymond-group / smilesDrawer

A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.
https://smilesdrawer.rocks
MIT License
434 stars 67 forks source link

E/Z configurations not correctly shown #79

Open jvansan opened 5 years ago

jvansan commented 5 years ago

As an example, for the set of configurations for (E)-nodulisporacid A (CCC(C)C[C@]1(C=C/C(=C\2/C(=O)[C@H](OC2=O)CC(=O)O)/O1)C) and (Z)-nodulisporacid A (CCC(C[C@@]1(C)C=C/C(O1)=C2C([C@@H](CC(O)=O)OC\2=O)=O)C), the configuration is not correctly rendered.

Library Version: 1.0.10 Browser Version: Firefox 63.0 on Ubuntu 18.04 and macOS 10.14.1

The output of smilesDrawers is the same for both

image image

For reference the two rendered by Marvin appear as follows: image

daenuprobst commented 5 years ago

Thank you for the feedback. I will have a look at this in the next bug-squashing all-nighter.