[ghemical-devel] CML file format and unspecified units

[Egon Willighagen]

On Tuesday 22 August 2006 09:23, Rzepa, Henry wrote:
> CML can and should declare units, but in the case of coordinates, the
> default is normally well behaved.
>
> Thus if  CML declares 2D coordinates, these in fact can be any
> arbitrary unit because they are assumed to be  "screen display units".  they
> probably are not angstroms. If CML declares 3D units, these DO default to
> angstroms. 

Henry, I just checked the CML schema (2.4 I think), but could not find a clue 
on how to define coordinate units for any of the 8D. Should there be a way to 
overwrite the default units for 3D coordinates in CML? If so, how is that 
done?

Egon

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