[ghemical-devel] LibGhemical and Cygwin (under JOELib)

[Joerg K. Wegner]

Hi Tommi,

> Some time ago I got interested about "Jmol" molecular viewer/editor, and I
> got an idea about an alternative way how to connect Jmol and libghemical ;
> by creating a CGI "web service" to calculate energies, do geometry
> optimizations etc. The plan is to make a Jmol plugin (which should work
> for other CDK-based programs as well?) that sends requests to this service
> and reads the results back. I does not work yet, but if you are interested
> you should look jmol-developers archives for the last week, there is some
> more about it.
Sounds interesting.
Egon said also that we can/should establish an interface between JOELib 
and JMol. Unfortunately i've less time for such things although i would 
be REALLY interested.

Nonetheless i would be really interested in such a service, too. And i 
surely know some people which would be interested, too !
Furhtermore there exists already some services:
http://www.dkfz-heidelberg.de/spec/mgms/web_award/beitraege2003.php

1. JOELib has no structure editor functionality, so it is not possible 
to use it directly for such tasks.
BUT if you will publish the HTTP adress with command line for the CGI 
script i would be really interested. I hope it will be possible to 
install such a service also for other servers (e.g. our APACHE server).

2. Technical comment: What's about JSP instead of CGI (i'm not familiar 
with, but seems to be state-of-the-art) ?
Egon: Are you familiar with JSP ?

Regards, Joerg

-- 
Dipl. Chem. Joerg K. Wegner
Center of Bioinformatics Tuebingen (ZBIT)
Department of Computer Architecture
Univ. Tuebingen, Sand 1, D-72076 Tuebingen, Germany
Phone: (+49/0) 7071 29 78970
Fax: (+49/0) 7071 29 5091
E-Mail: mailto:wegnerj@informatik.uni-tuebingen.de
WWW:    http://www-ra.informatik.uni-tuebingen.de
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