>Hi, I have an SDF file that contains a C=O bond and it displays fine in
>Jmol. However when I use babel to convert it to a PDB file, the
>resultant PDB file does not show the C=O double bond.
>
>Does anybody have any idea why this would happen? The coordinates in the
>PDB file are to 3 decimal places and in the SDF file to 4 decimal
>places, but I would'nt think that this would affect the bond type
>recognition.
I'm not 100% sure, but I don't think Jmol does bond type recognition: if Jmol
shows a double bond, it is only because it is specified as such in the SDF
file. I would say the problem is with the conversion where the bond type is
lost.
Nicolas
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