[Kalzium] GSoC project.

[Alexandr Goncearenco]

On Sun, 2009-03-29 at 13:13 +0200, Egon Willighagen wrote:
> On Sun, Mar 29, 2009 at 1:07 PM, Carsten Niehaus <cniehaus at gmx.de> wrote:
> > Am Sunday 29 March 2009 00:19:20 schrieb Apekshit Sharma:
> >> 3)*(major)*I would also like to add a feature which i'd like to call
> >> “compound finder”, and will do the fllowing:
> >>
> >> once clicking on this feature ,the user when clicks on an element ,it will
> >> show all the compounds of that element .
> >
> > All compounds? That would mean clicking on Carbon will show you a billion
> > carbonic compounds (ethanol, methane, butane, dodecane, dedecanol, ...)? That
> > is impossible. You will need a database for that. But hey, that database
> > exists :-)
> 
> Alternatively, I can imagine that it finds all compounds which only
> contain that single element... so, for carbon it would find graphite,
> buckyball, diamond.

This sounds ok for carbon, but I can't imagine such a query for
non-carbon single element compounds.
Compound filter sounds like a more vial feature than element filter,
though I would love to be able to get a list of metal-containing
proteins (PDB format) on my local disk by metal element, for example.

> >> On subsquint selection of
> >> elements,it will keep on filtering compounds common to all selected
> >> elements before and the new one.
> 
> That's quite impossible indeed... and I suggest linking to compound
> databases on the internet for this, and open the search results in
> Konqueror instead.
> 
> Jerome's database will only do organic compounds...
> 
> >> Also i will provide additional filters like
> >> , setting min or/and max no. of atoms of each element.in the
> >> compound,giving max or/and min molecular mass, or like comp. should belong
> >> to a certain family (like alcohols,aldehydes,proteins,etc) .etc
> >>
> >> It will be a lot useful as it will provide functionality of finding
> >> compounds by filters.
> >
> > Yes, I very much agree with this. This could even mean improving the
> > Strigi-Chemical project from 2007!
> >
> > http://api.kde.org/playground-api/utils-apidocs/strigi-chemical/html/index.html
> >
> > For comments on Strigi chemical I am CC'ing Egon Willighagen. He knows a lot
> > about Strigi and chemistry :-)
> 
> Strigi comes into play, particularly, when looking for compounds on
> the local hard disk, that match the search criteria.

This is a great possibility to integrate Strigi with Kalzium. Although
strigi-chemical demands a separate search/query frontend ideally, having
a simple client embedded in Kalzium might be the best start.

Apekshit, are you planning to submit all three proposals? You have
marked them all as "(major)", so it's quite hard to see which one you'd
prefer most. 

I've been a GSoC 2007 student working on strigi-chemical metadata
extraction. Current status is that you can perform searches based on
these chemical metadata, but we lack a frontend. Whether or not this
should be part of Kalzium is up to Carsten, but I assure that making a
GUI to search for chemical compounds on you harddrive (which have
already been indexed and are there in the strigi database) is an
exciting and rewarding project. This will also revive strigi-chemical,
as it is hardly used by anyone by this time, mainly due to the missing
GUI.

Apekshit, check my blog-report: http://neksa.blogspot.com/  and the
source: http://websvn.kde.org/trunk/playground/utils/strigi-chemical/
Should you have any questions, don't hesitate to ask.

Best wishes,
Alex.