Hi,

Peter Murray-Rust wrote:
> First I'd like to welcome these discussions as it shows that the Blue
> Obelisk community continues to attract new ideas and collaborators. You are
> all very welcome. Open Data, Open Standards, Open Source and Open
> Discussion.

Fine.

> I'd strongly suggest using CML as the export format. It interoperates with
> SVG and is widely supported in the BO. There are also many structures for
> wich MOL files are not suitable (e.g. crystal structures). The value of XML
> languages are that you can add annotations and additional information to
> elements. For example you might wish to annotate some spheres/circle as
> being atoms and others have a different purpose. It's perfectly ok to write:
>
> <svg:circle cx="1.0" cy="2.0" r="3.0" style="fill:green">
>   <cml:atom id="a1" elementType="Cl" x3="4.0" y3="5.0" z3="6.0"/>
> </svg:circle>
>
> This is then able to carry two coordinate systems into the next part of the
> processing - indeed we can probably ensure that the graphics information
> survives through the chemical processing and vice versa.
>
> I use SVG+CML a lot and they work very well together. With simple XML tools
> you ensure syntactic validation of the XML (e.g. the writer() will
> automatically escape & and <). Modern web tools will be able to process it
> in other valuable ways we haven't thought of (e.g. Google's wave is based on
> XML, rather than legacy formats).

>From what I understand that reads fine. But it does not directly help
me. I first would have to find a program that parses pov and writes some
 CML. Having CML I still dont have a method to generate a svg. Or at
least not anything that looks a bit like the original raytraced raster
image?

Regards,
-- 
Dr. Michael T. Kirchner

Institut für Anorganische Chemie
Universität Duisburg-Essen
Universitätsstr. 5-7
45117 Essen

[email protected]
Tel +49 201 183 4139
Fax +49 201 183 7342
Raum S07 S00 C24

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