Hi Chris,
With r4456 there is an error in the MDL writer as follows:
obabel -:C[C@@](Br)(Cl)I -osdf --gen2d
OpenBabel05251122182D
5 4 0 0 0 0 0 0 0 0999 V2000
0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.0000 0.0000 C 0 0 1 0 0 15 0 0 0 0 0 0
-1.0000 1.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
-0.5000 1.8660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 1 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
2 5 1 0 0 0 0
M END
$$$$
1 molecule converted
The 15 for the second carbon indicates 0 valence, and causes a problem
with other software.
- Noel
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