Understood. I think the current behaviour can be preserved. I just
want c1n[nH]cc1 to have the double bonds in the same place as
c1nn([H])cc1. Right now the code does this by making all hydrogens
inside square brackets explicit, which isn't what SMILES is supposed
to do.
- Noel
On 12 December
On Thu, Dec 13, 2012 at 4:25 PM, Chris Morley c.mor...@gaseq.co.uk wrote:
On 12/12/2012 18:15, Tim Vandermeersch wrote:
Hi,
On Wed, Dec 12, 2012 at 5:55 PM, Geoffrey Hutchison geo...@pitt.edu
mailto:geo...@pitt.edu wrote:
On Dec 12, 2012, at 11:44 AM, Noel O'Boyle wrote:
