Announce: XML-CML Software and Demo release on http://www.xml-cml.org/

Rzepa, Henry h.rzepa at ic.ac.uk
Sun Jul 22 19:53:31 BST 2001


We hardly need tell this list what  HTML is,  but perhaps people are rather less
familiar with XML, what it is, how it can be used, and working examples
of its application. 

CML (Chemical Markup language) is the most mature and best developed
and documented Chemical application of  XML,
and we have now made available an extensive range of
resources and software tools to illustrate its form and its application,
together with  a list of some "frequently asked questions" 
about CML and XML

The materials include

1. A (2 Mbyte) download for the  JUMBO3-J browser written by  Peter Murray-Rust,
which is a standalone molecular browser written in Java and
capable of reading not only  CML files, but a wide range of legacy molecular formats. 
This browser includes the excellent  JMVS 3D viewer written by 
Allistair Crossley and incorporated into  JUMBO3 as an example of 
how such software can be easily extended via collaboration. 
The download includes source code for the core components
of  CML for the developers amongst you

2. An on-line demo and (400K) download for a lightweight 
version of  JUMBO3 written in  JavaScript  by Peter and Michael Wright,
and capable of viewing  XML-CML files by converting them on the fly to  SVG,
which is then displayed using Adobe's SVG viewer.  This is an excellent
illustration of how XML data can be transformed into other  XML
forms (SVG is also  XML), in this case for display purposes

3. An on-line demo and download for a CML aware version of the
Peter Ertl's Java Molecular  Editor (JME).. The base JME
editor is extended using an interface (JMECML) to input and output
CML as well as the usual JME supported formats. It comes as an 
application (which allows  CML files to be read and written to local hard
disk) and an applet (which allows CML files to be copied to the
clipboard for pasting into other applications).  You will need  Java 1.2
to run this on your system.

4. We have compiled an  FAQ which attempts to address many of the
questions and issues often raised in connection with  XML and CML. 
This is an on going project, and we expect will be extensively added
to over the coming months, we hope via the questions and  FAQs
that you send us!  

If anyone has other examples of the use of  CML
and chemical applications of XML in general please let us know and
we can include them on our pages (there are several excellent examples
already out there, including the SelfML browser for physico chemical
data written by Peter Murray-Rust and also available on-line
for demonstrations at the site). 

There is much other new and updated information on the  CML site, 
and to acquire the above and everything else, please go to 

http://www.xml-cml.org/

Peter Murray-Rust and Henry Rzepa. 

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