Hi,
When I tried to reading SDF file generated by Openbabel errors are
encountered.
According to Openbabel's wiki this format is following the specification of
Symyx CTFile at http://www.symyx.com/downloads/public/ctfile/ctfile.jsp. But
I have observed it does not.
The differences are length of atom block and bond block
*Standard atom block*
Marvin 11030915522D
31 32 0 0 0 0 999 V2000
-2.4750 0.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1895 -0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1895 -0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
*Openbabel atom block*
OpenBabel11150908402D
31 32 0 0 0 0 0 0 0 0999 V2000
-2.4750 0.3241 0.0000 C 0 0 0 0 0
-3.1895 -0.0884 0.0000 C 0 0 0 0 0
-3.1895 -0.9134 0.0000 C 0 0 0 0 0
*Standard bond block*
1 2 1 0 0 0 0
1 6 2 0 0 0 0
2 3 2 0 0 0 0
*Openbabel bond block*
1 2 1 0 0 0
1 6 2 0 0 0
1 7 1 0 0 0
Is this a purposely design? Thanks for answering.
Charlie
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