On 31/10/10 14:18, Greg Landrum wrote:
Hi Paul,
On Sun, Oct 31, 2010 at 12:09 PM, Paul Emsley
paul.ems...@bioch.ox.ac.uk wrote:
I'm running into problems when I try to kekulize carbazole.
The description I start with is that all the bonds are marked as
Bond::AROMATIC and I do
Hi Paul,
On Mon, Nov 1, 2010 at 3:54 PM, Paul Emsley paul.ems...@bioch.ox.ac.uk wrote:
For the record, I would like to describe how I proceeded in the light of
your reply.
My starting point to construct an RWMol is an mmCIF restraints file. As
well as containing description of the bonds
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