It's great, Noel, but... no MCS in OpenBabel? :(
I completely agree that my implementation is not perfect but it does
work within some reasonable limits...
Igor
On 12/4/2012 12:48 PM, Craig James wrote:
Very nice ... thanks for doing this. Things like this should be
available in the OB
My comment was referring to the OB library, and your implementation is
not in there. As contributed code it may be useful to people, but
having it in the library would expand the capabilities of 'obabel' and
friends.
- Noel
On 4 December 2012 17:55, Igor Filippov [Contr] igor.filip...@nih.gov
Very nice ... thanks for doing this. Things like this should be available
in the OB documentation as a resource for those starting new projects or
trying to make a presentation to their management.
Craig
On Tue, Dec 4, 2012 at 3:31 AM, Noel O'Boyle baoille...@gmail.com wrote:
Hi all,
Here
