A brief plug for a workshop I'm running under the aegis of ICSTI
in Paris in February (http://www.icsti.org/programme_winter2010.php)
to discuss just this issue. The IUCr has been using Jmol for a while to
provide interactive figures in the HTML versions of our journal articles.
We're also interested in carrying the same figures into the PDF versions
to give the reader a greater choice of formats, so we certainly encourage
the ability to integrate Jmol models in PDFs.

However, we're very enthusiastic about Henry's point that the data are
paramount, and the Java applet does allow far more interaction directly
with the model data. Of course, we require deposition of the crystal
structure data sets in CIF format and make these freely available.

It's also the case that Jmol comes with a very nice Javascript library
that makes it very easy to set up feature-rich interactive figures with
buttons, checkboxes, sliders and the like; by contrast, the interactive PDF
figures I've seen tend to be rather more restricted in their presentation of
the 3-d object. But I believe there are opportunities to include Javascript
in interactive PDFs, and I'm sure there is scope to develop the range and
usability of interactive PDFs. Certainly, I'm hoping to learn more from
this workshop and its sequel.

It's not clear to me if many publishers yet have a coherent strategy
regarding interactive figures. PDF will again appeal because it offers a
single approach across different domains. Jmol is superb at molecular and
crystal structure visualizations, but of limited applicability elsewhere
(though the discussions about generalising it within the SAGE community
are interesting and relevant); and general scientific publishers may be
nervous about the prospect of having to support an ever-growing range of
software applicationss for different disciplines.

That's why I think the publishers should start thinking about the
architectural features of visualisation programs that will facilitate their
integration into standard production workflows. Here again I think Jmol sets
the gold standard, and I'll be hoping to get that message and philosophy
across to other publishers.

On Sat, Dec 19, 2009 at 12:34:58PM +0000, Rzepa, Henry wrote:
> >I would therefore advocate making this option as easy as possible
> > to use within Jmol.  In my view, interactive 3D pdf figures should
> > really be the rule rather than the exception in scientific
> > publishing, and Jmol could lead the way.
> 
> Publishers are likely to love  interactive PDF, since it is easy to
> archive.  However,  I find one serious issue; such objects are
> <<data impoverished>>.  Whereas with  Jmol, one is obliged to
> provide semantically accurate data (for example  CML or equivalent), 
> the PDF  object is simply a  (pre)rendering of that data. Thus
> reconstituting a useful molecule from  Jmol is trivial (and that
> reconstitution can then be used for many other purposes),
> reconstituting a molecule from a  3D PDF  is likely to be non trivial,
> and will almost certainly suffer information loss compared to the
> original data. By all means, provide  BOTH, but I strongly urge that
> a  3D PDF should  NOT be the  ONLY object provided.  Apart from all these
> considerations,  I can just imagine how  publishers would treat the copyright
> aspects. For example, a  publisher CANNOT claim copyright for a 
> Jmol model, since it is basically data, which cannot be copyrighted. 
> But just as they do with  2D images,  I should imagine publishers
> will be falling over themselves to claim copyright for a  3D PDF,
> since it is intrinsically  not data, but in effect  <<art>> (and this
> can be copyrighted).
> 
> So please, whilst  3D PDF may well have its uses (in 1994 for example,
> I was a strong advocate of  VRML), let  us not loose sight of the
> more fundamental object, which is the data model.
> -- 
> 
> +44 (020) 7594 5774 (Voice); FOAF: http://www.ch.ic.ac.uk/rzepa/rzepa.xrdf
>  Dept. Chemistry, Imperial College London, SW7  2AZ, UK.

Cheers
Brian
_________________________________________________________________________
Brian McMahon                                       tel: +44 1244 342878
Research and Development Officer                    fax: +44 1244 314888
International Union of Crystallography            e-mail:  [email protected]
5 Abbey Square, Chester CH1 2HU, England

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