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
------------------------------------------------------------------------------
vRanger cuts backup time in half-while increasing security.
With the market-leading solution for virtual backup and recovery,
you get blazing-fast, flexible, and affordable data protection.
Download your free trial now.
http://p.sf.net/sfu/quest-d2dcopy1
_______________________________________________
OpenBabel-Devel mailing list
OpenBabel-Devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-devel
