Create a gist now

Instantly share code, notes, and snippets.

CML bond stereo
<!-- CDK expects -->
<bond atomRefs2="a2 a4" order="1">
<bondStereo dictRef="cml:W"/>
</bond>
<!-- Normally my files have this -->
<bond atomRefs2="a2 a4" order="1">
<bondStereo>W</bondStereo>
</bond>
@egonw

Mmmm... I'm pretty sure the other used to be supported too...

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment