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In [4]: m = Chem.MolFromSmiles('[Mn+2]')
In [5]: m.Debug()
Atoms:
0 25 Mn chg: 2 deg: 0 exp: 0 imp: 0 hyb: 4 arom?: 0 chi: 0 rad: 3
Bonds:
The algorithm used really only works for main group elements.
Since it's not generally possible to calculate this value correctly, a good workaround is probably to just assign numValenceElectrons % 2 for anything that has a default valence of -1
The text was updated successfully, but these errors were encountered:
Thanks to @lpravda for pointing this out:
The algorithm used really only works for main group elements.
Since it's not generally possible to calculate this value correctly, a good workaround is probably to just assign
numValenceElectrons % 2
for anything that has a default valence of -1The text was updated successfully, but these errors were encountered: