[Kalzium] GSoC project.

[Egon Willighagen]

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.

>> 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.

cc-ing, Alexandr.

Egon

-- 
Post-doc @ Uppsala University
http://chem-bla-ics.blogspot.com/