Hi,
The default interpretation of units for coordinates in
CML is probably wrong. CDK handles files without a unit
for coordinates as not set, while there is a default
unit: angstroms.
Please see attached my correspondens with Henry Rzepa,
who is involved in the CML file format:
"CML can and should declare units, but in the case of
coordinates, the default is normally well behaved.
...
If CML declares 3D units, these DO default to angstroms.
..."
Rob Schellhorn
Not sure what the bug is here, how are units store...? If they're not handled at all this is a feature request.