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,
On Sun, Oct 24, 2010 at 10:13 AM, Nina Jeliazkova
jeliazkova.n...@gmail.com wrote:
Perhaps we can collaborate with reusing/extending existing OpenTox REST
services with similar functionality and sharing experience with development
of web services based on RDF .
Perhaps as a start the data can
On 25 October 2010 12:07, Egon Willighagen egon.willigha...@gmail.comwrote:
On Sun, Oct 24, 2010 at 10:13 AM, Nina Jeliazkova
jeliazkova.n...@gmail.com wrote:
Perhaps we can collaborate with reusing/extending existing OpenTox REST
services with similar functionality and sharing experience
On Mon, Oct 25, 2010 at 11:13 AM, Nina Jeliazkova
jeliazkova.n...@gmail.com wrote:
Perhaps as a start the data can just be pulled and put in one of the
current OpenTox servers?
No problem with this - do you have in mind particular piece of data to start
with ?
Check here...
On 25 October 2010 12:16, Egon Willighagen egon.willigha...@gmail.comwrote:
On Mon, Oct 25, 2010 at 11:13 AM, Nina Jeliazkova
jeliazkova.n...@gmail.com wrote:
Perhaps as a start the data can just be pulled and put in one of the
current OpenTox servers?
No problem with this - do you have
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
Nina,
On Mon, Oct 25, 2010 at 12:28 PM, Peter Murray-Rust pm...@cam.ac.uk wrote:
On Mon, Oct 25, 2010 at 10:33 AM, Nina Jeliazkova jeliazkova.n...@gmail.com
wrote:
For gaussian files it should be feasible as well, does CDK reads gaussian
files ?
JUMBO does and the transofrmation is
On Mon, Oct 25, 2010 at 11:47 AM, Egon Willighagen
egon.willigha...@gmail.com wrote:
Nina,
On Mon, Oct 25, 2010 at 12:28 PM, Peter Murray-Rust pm...@cam.ac.uk
wrote:
On Mon, Oct 25, 2010 at 10:33 AM, Nina Jeliazkova
jeliazkova.n...@gmail.com wrote:
For gaussian files it should be
