[Joelib-help] Re: [QSAR-devel] Molecular Open Web Services

[Matteo F. <flo...@ya...>]

Hi  all,

> What
> services would people like? 
> Our own list includes but is not limited to:
> - calculate 2D coords for connection table
> - calculate 3D coords for molecule
> - MM, MD, MO calculations
> - calculate descriptors for molecule
> - calculate properties for molecules
> - legacy conversions
> - search databases
> - create SVG diagrams for molecules and reactions
> - create PNGs


Hi all,
as most of you know, Egon has developed a line command
for calculating descriptors with CDK. I think it could
be very easy to develop a WS, with a few minutes work
for a simple web interface. 
I see also there is a good request of "web molecular
databases". My modest opinion is that it could be
better to think at an unique WS similar to
not-chemical "web content managers".

Regards,

Matteo Floris.



> If you have a working application it's relatively
> easy to create a WS. YY 
> has created pages:
> http://wwmm.ch.cam.ac.uk/moin/WebServiceUsage
> http://wwmm.ch.cam.ac.uk/moin/WebServiceDev
> 
> P.
> 
> 
> Peter Murray-Rust
> Unilever Centre for Molecular Informatics
> Chemistry Department, Cambridge University
> Lensfield Road, CAMBRIDGE, CB2 1EW, UK
> Tel: +44-1223-763069
> 
> 
> 
>
-------------------------------------------------------
> SF email is sponsored by - The IT Product Guide
> Read honest & candid reviews on hundreds of IT
> Products from real users.
> Discover which products truly live up to the hype.
> Start reading now. 
> http://productguide.itmanagersjournal.com/
> _______________________________________________
> Qsar-devel mailing list
> Qsa...@li...
>
https://lists.sourceforge.net/lists/listinfo/qsar-devel
>  


		
___________________________________ 
Nuovo Yahoo! Messenger: E' molto più divertente: Audibles, Avatar, Webcam, Giochi, Rubrica… Scaricalo ora! 
http://it.messenger.yahoo.it