Dear Jmol users

The International Union of Crystallography has been developing a system
to allow authors to publish interactive figures using Jmol in IUCr
journals. This system is almost ready to go live as a beta release
to our authors.

You are invited to preview and comment on the Jmol authoring toolkit
that will form part of this service. This preview version is available
at http://sandbox.iucr.org/jtktalpha

Feel free to upload structures in CIF format to test this toolkit.
You will find that saving your edits will take a very long time;
the demonstration machine is a very low-powered one and struggles to
render the saved view (the server that our authors will use is
much faster). Nevertheless, you may find it interesting to explore
the way that the interface is intended to work.

The application will be integrated seamlessly into our submission
and review system. Authors may create enhanced figures and make them
accessible to referees as part of normal peer review. After
acceptance, the enhanced figure is automatically managed within the
electronic journal workflow. The initial rendering is saved as a TIFF
image for incorporation in the PDF of the article (this is why I
have a need to obtain, say, 300 dpi resolution output from jmol).

The online figure contains the same static rendering, but also the
Jmol applet and the set of Jmol scripts that the author has assembled.
The page degrades well for readers with limited browsers; if they do
not have Java or JavaScript, they will see only the static view.

Much of the development effort has gone into the integration of
this toolkit with the submission system. This is important in a
journal production environment to provide capacity to accommodate
large numbers of figures. Recently we have been publishing over
1000 crystal structures per month. We wish to be able to publish
that many Jmol-enhanced figures if the community sees a need to do so.

The next stage will be to collect user feedback and refine the
palette of features offered within the toolkit interface. We are
aiming to provide a service that will be quite usable by Jmol
novices, but that can also be used to good effect by experts.

I must pay tribute to the enormous developments in Jmol over the past
few years that have made this project possible: the very clean export
of the graphics state; the very powerful and useful Jmol.js library;
the great improvement in handling crystallographic information
(symmetry operations, coordination polyhedra etc.). I also acknowledge
the inspiration of the many excellent tutorial and educational sites
that are using Jmol, and the efforts of journals such as ACS Chemical
Biology and the Biochemical Journals to incorporate enhanced figures
into their publications. The Jmol community itself is a wonderful
one, and thanks to all of you for your continuing contributions of
tools, ideas and know-how!

Enjoy
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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