If you copy a molecule it triggers partial charge perception on the
original one. This doesn't seem right.
It's triggered by OBAtom::Duplicate:
_ele = src->GetAtomicNum();
_isotope = src->GetIsotope();
...
_pcharge = src->GetPartialCharge();
There seem to be different partial char
Hmmm, I was sure that babel is just an alias/symlink to obabel.
Is the difference between the two described somewhere?
Igor
On 5/11/2013 1:30 PM, Noel O'Boyle wrote:
> While at the ACS a month ago I met some power users of Open Babel and
> was surprised to hear that they are still using the babel
On 13/05/2013 14:20, Igor Filippov [Contr] wrote:
> Hmmm, I was sure that babel is just an alias/symlink to obabel.
> Is the difference between the two described somewhere?
http://openbabel.org/docs/dev/Command-line_tools/babel.html#babel-vs-obabel
I support Noel's proposal to deprecate babel. It
