Hello,

After creating an atom using the OBBond constructor, is it possible to set
the real valence as it is defined in chemistry (e.g., carbon in acetylene
would have a valence of 4 and not of 2 like in Openbabel)? I know it's
possible to get this valence from an atom that already exists using
OBAtom.BOSum(), but that does not help when I am trying to set it.

Thanks!



--
View this message in context: 
http://forums.openbabel.org/Create-atom-and-set-real-valence-tp4659348.html
Sent from the General discussion mailing list archive at Nabble.com.

------------------------------------------------------------------------------
Attend Shape: An AT&T Tech Expo July 15-16. Meet us at AT&T Park in San
Francisco, CA to explore cutting-edge tech and listen to tech luminaries
present their vision of the future. This family event has something for
everyone, including kids. Get more information and register today.
http://sdm.link/attshape
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss

Reply via email to