>> When are there ever no 2D coordinates?
>
> e.g. SMILES input.
Depiction to SVG will automatically generate 2D coordinates. Now you may not
like them, but the -gen2d flag should give you the same 2D coordinates and
depiction as not specifying this.
> Yes it does and yes there are. The attach
> And a wish list one: rather than generating a garbage picture, how about
> aborting when there are no 2D coordinates?
When are there ever no 2D coordinates?
My big question for you is why you want to show all the hydrogens. This really
complicates the 2D layout, since there are a lot of things
Hi all,
using 2.3. w/ smiles string copied from
http://chemlookup.com/CAS_Number/384835-54-5.html:
> (=O)OC[C@H](COP(=O)([O-])OCCNC(=O)[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)OC(=O)CCC.[Na+]
command line:
> bin/obabel -d --gen2d --title "" -xb none -xP1200 -ismi -osvg s
