Thanks, that worked wonderfully! now I just have to get the rest of my code
up to shape... I'm writing a function to list all basic isomers (no rings)
for a set number of carbon atoms. It checks for duplicates through
canonization. Unfortunately, at the moment, the function is only returning
the 'n
On Oct 23, 2015, at 12:03 AM, Nathan Pimental wrote:
> I was wondering how one uses openbabel to convert smiles into canonical
> (ordered) smiles format: the gui does it with ease, there's a check box for
> this feature.
I don't know VB, but if the following (almost) worked
> Dim myObCo
I hope this isn't too much of an annoyance (I'm not very good at
reading the API), but I was wondering how one uses openbabel to convert
smiles into canonical (ordered) smiles format: the gui does it with ease,
there's a check box for this feature. I'm using VB.NET, but if someone
knows how to
