In obabel 2.3.x but also trunk:
partial charges are read correctly, e.g. from gamout but then
for anions:
reported net charge 0, e.g. in smiles
molecular multiplicit correct in report
atomic multiplicit wrong in e.g. cml, does not agree with molecular multiplicity
in report.
Bond assignment is affected, see the smile.
Fulvio
In obabel 2.3.x but also trunk: partial charges are read correctly, e.g. from gamout but then for anions: reported net charge 0, e.g. in smiles molecular multiplicit correct in report atomic multiplicit wrong in e.g. cml, does not agree with molecular multiplicity in report. Bond assignment is affected, see the smile. Fulvio
Reported by: fulviociriaco
Original Ticket: openbabel/bugs/852