reymond-group/smilesDrawer

It's wrong for 'N=C(O)CC'

ZhitaoTian opened this issue · 4 comments

ZhitaoTian commented

It's wrong for 'N=C(O)CC'

goldwind-ting commented

do you mean ReferenceError: highlight_atoms is not defined?

ZhitaoTian commented

@goldwind-ting
the right structure for "N=C(O)CC" should be:
image
while smileDrawer produce a structrue like this:
image

xavierholt commented

This is a style preference, not a bug (I too prefer the fuller structures). You can get the output you want by disabling compactDrawing when you create your Drawer:

drawer = new SmilesDrawer.Drawer({
    // other stuff...
    compactDrawing: false
})
ZhitaoTian commented

@xavierholt Thanks a lot.