[OTDev] Q-edit

Pantelis Sopasakis chvng at mail.ntua.gr
Sat Aug 6 13:19:54 CEST 2011


Dear all,
	I've updated Q-edit and put the executable (version 1.0.12) at
http://opentox.ntua.gr/files/Q-edit.jar . So far we had no luck with the
issue with the SSL certificate which remains open and I would say that
the users take a look at
http://opentox.ntua.gr/index.php/blog/77-ssl-certificates and install
the necessary certificates on their computers. There are some more minor
issues I'll fix in the weekend and I'll let you know. Please try the
software and provide me with your feedback. Use the compound
"epicorticosterone" and the unprotected model
"http://apps.ideaconsult.net:8080/ambit2/model/17". 

Best regards,
Pantelis Sopasakis



On Fri, 2011-08-05 at 11:05 +0300, Pantelis Sopasakis wrote:
> Dear all,
> 	Q-edit is back in action - I'll put the executable file online in a
> while. I attach a sample QPRF report as it is generated by Q-edit.
> Please take a look before the meeting today so that we can discuss on
> any issues.
> 
> @Sunil: Could you update our abstract at
> http://www.opentox.org/meet/opentox2011/opentox2011qprf with the example
> I posted yesterday?
> 
> Regards,
> Pantelis
> 
> On Thu, 2011-08-04 at 15:39 +0300, Pantelis Sopasakis wrote:
> > Dear All,
> > 	So far, so good with Q-edit. The only thing to be done is to allow for
> > export of QPRF reports as PDF which is a matter of hours. In the
> > meantime, please take a look at the executable which you can find at
> > http://opentox.ntua.gr/files/Q-edit.jar . use cases:
> > 
> > 1. Create a new report (Ctrl+N), type any compound identifier (e.g.
> > phenol, epicorticosterone, ascorbic acid). Click "Load" and wait until
> > information is loaded from the remote location. Do the same with a model
> > (3rd model) - try
> > http://opentox.ntua.gr:8080/model/0a8133f4-e5fe-4a3c-92bc-383129b7c8b4 .
> > 
> > 2. Try the combination
> > compound: epicorticosterone
> > model:
> > http://opentox.ntua.gr:8080/model/958b91b5-9624-4d03-9930-d4cfe492acc5 
> > Then try "Download Exp. Value" under the tab "Prediction" - you should
> > get the value -4.46999979019165 logP_{eff}.
> > 
> > ...click around.
> > 
> > 3. Save a report you created (Ctrl+S) - then open it again. Everything
> > should be in place.
> > 
> > 4. Try the attached report file (epicorticosterone.ro). [First unzip it]
> > 
> > 
> > 
> > Best regards,
> > Pantelis
> > _______________________________________________
> > Development mailing list
> > Development at opentox.org
> > http://www.opentox.org/mailman/listinfo/development
> 
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