Piero
This is fantastic. (I haven't had time to visit your site in detail).
Two immediate ways of interacting on Open Source and Open data.
If you want crystallographic data we have 200,000 crystal structures at:
http://wwmm.ch.cam.ac.uk/crystaleye. These are all from the literature. They
are present as CIF and CML and Jmol compatible. You might want to consider
an interface
We have just started a collaborative Open project on a computational
knowledgebase for molecules. see http://quixote.wikispot.org/Front_Page .
We now intend to develop this for crystalline materials. Your experience and
involvement would be great. I have copied in Pablo Echenique. It should be
possible to use your approach to browse the knowledgebase
P.
On Mon, Oct 25, 2010 at 9:15 AM, Egon Willighagen <
egon.willigha...@gmail.com> wrote:
> FYI
>
> ---------- Forwarded message ----------
> From: P.Canepa <pc...@kent.ac.uk>
> Date: Mon, Oct 25, 2010 at 10:09 AM
> Subject: [Jmol-users] J-ICE a Jmol interface for crystallographic and
> electronic properties
> To: "jmol-us...@lists.sourceforge.net"
> <jmol-us...@lists.sourceforge.net>,
> "jmol-develop...@list.sourceforge.net"
> <jmol-develop...@list.sourceforge.net>
>
>
> Dear all,
>
> I would like to inform you that I have released my first project,
> which entirely relies on Jmol.
> Its name is J-ICE which stand for: a Jmol interface for
> crystallographic and electronic properties.
>
> J-ICE allows users to visualize, to build and to manipulate complex
> input/output results (deriving from modelling) entirely via a
> web-server, i.e. without the burden of installing complex packages.
>
> At present J-ICE focuses only on rendering and handling crystal
> structures and their properties as resulting from the application of
> modern programs such as CRYSTAL09, CASTEP, FHI-aims, QUANTUM ESPRESSO,
> VASP, Wien2K, etc..
>
> J-ICE is released under the GNU agreement and its project page can be
> browsed at http://j-ice.sourceforge.net/. The application it self is
> available for browsing at the this address
> http://j-ice.sourceforge.net/ondemand/index.html. Alternatively you
> can download it at https://sourceforge.net/projects/j-ice/ .
>
> I would also like to express my gratitude to Bob Hanson, Angel
> Herraez and Jonathan Gutow for their endless patience, helpfulness
> and competence during the development of such interface .
>
> Comments an ds suggestion are welcomed.
>
> Best regards, Piero
>
>
>
> --
> Please consider the environment before printing this e-mail.
>
> Pieremanuele Canepa
> Room 104
> Functional Material Group
> School of Physical Sciences, Ingram Building,
> University of Kent, Canterbury, Kent,
> CT2 7NH
> United Kingdom
>
> e-mail: pc...@kent.ac.uk
> mobile: +44 (0) 7772-9756456
> -----------------------------------------------------------
>
> ------------------------------------------------------------------------------
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>
>
> --
> Dr E.L. Willighagen
> Postdoctoral Research Associate
> University of Cambridge
> Homepage: http://egonw.github.com/
> LinkedIn: http://se.linkedin.com/in/egonw
> Blog: http://chem-bla-ics.blogspot.com/
> PubList: http://www.citeulike.org/user/egonw/tag/papers
>
>
> ------------------------------------------------------------------------------
> Nokia and AT&T present the 2010 Calling All Innovators-North America
> contest
> Create new apps & games for the Nokia N8 for consumers in U.S. and Canada
> $10 million total in prizes - $4M cash, 500 devices, nearly $6M in
> marketing
> Develop with Nokia Qt SDK, Web Runtime, or Java and Publish to Ovi Store
> http://p.sf.net/sfu/nokia-dev2dev
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--
Peter Murray-Rust
Reader in Molecular Informatics
Unilever Centre, Dep. Of Chemistry
University of Cambridge
CB2 1EW, UK
+44-1223-763069
------------------------------------------------------------------------------
Nokia and AT&T present the 2010 Calling All Innovators-North America contest
Create new apps & games for the Nokia N8 for consumers in U.S. and Canada
$10 million total in prizes - $4M cash, 500 devices, nearly $6M in marketing
Develop with Nokia Qt SDK, Web Runtime, or Java and Publish to Ovi Store
http://p.sf.net/sfu/nokia-dev2dev
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