> Very cool! :-) I'd be for having this in Open Babel. In fact, I think
> you should also consider it as an output format.
Indeed, this would be a nice test of "roundtripping" names. :-)
> Regarding the specifics, I'm just wondering whether the format should
> be renamed to include the word "web"
Very cool! :-) I'd be for having this in Open Babel. In fact, I think
you should also consider it as an output format. In Cinfony, I use the
CIR to return 1 or multiple names for a compound (could be controlled
by an output option), or the IUPAC name.
Regarding the specifics, I'm just wondering wh
Reminded by a question on Blue Obelisk Exchange
(http://blueobelisk.shapado.com/questions/converting-from-compound-name-to-chemical-structure),
I have tweaked up some code to access the NIH Chemical Identifier
Resolver from an input format in OpenBabel. There must be doubts as to
whether this s
