[Cdk-devel] [ cdk-Feature Requests-1545249 ] SMILES input for JChemPaint

[SourceForge.net <no...@so...>]

Feature Requests item #1545249, was opened at 2006-08-23 14:37
Message generated for change (Settings changed) made by egonw
You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=370024&aid=1545249&group_id=20024

Please note that this message will contain a full copy of the comment thread,
including the initial issue submission, for this request,
not just the latest update.
Category: None
Group: None
>Status: Closed
Priority: 5
Submitted By: bi-i-ej (biiej)
>Assigned to: Rajarshi Guha (rajarshi)
Summary: SMILES input for JChemPaint

Initial Comment:

I have an elegant idea for JChemPaint an SMILES
input box simmilar to address bar in web browser.

Please see attached image ...

PS: Sorry to submitting into cdk.smiles component
but i can't find jchempaint component.

----------------------------------------------------------------------

Comment By: Rajarshi Guha (rajarshi)
Date: 2006-09-20 00:39

Message:
Logged In: YES 
user_id=349408

I've got an initial implementation. A screenshot is
included. Currently it will accept SMILES. It also has code
to accept an InChI - but it's commented out, sicne I'm not
sure about how feasible it is to distribute the InChI stuff.
Currently I have not committed the code -if it's suitable
I'll do so

----------------------------------------------------------------------

Comment By: Nina Nikolova - Jeliazkova (vedina)
Date: 2006-08-23 16:03

Message:
Logged In: YES 
user_id=1025007


I coded something similar in ToxTree software. It's a 
JPanel descendant and can keep a history of entered 
SMILES. Feel free to snip code from there.

http://ecb.jrc.it/QSAR/home.php?
CONTENU=/QSAR/qsar_tools/qsar_tools_toxtree.php

Regards,
Nina


----------------------------------------------------------------------

Comment By: bi-i-ej (biiej)
Date: 2006-08-23 14:50

Message:
Logged In: YES 
user_id=1532512

:-) Just mockup, i indeed code however
i am full-time employed + student +
in middle of starting own sf project.


----------------------------------------------------------------------

Comment By: bi-i-ej (biiej)
Date: 2006-08-23 14:47

Message:
Logged In: YES 
user_id=1532512

It has potential to be used for other means 
structure textual input for example it can 
be used for entering CAS/IChI numbers to be
retrieved from database etc.


----------------------------------------------------------------------

Comment By: Nobody/Anonymous (nobody)
Date: 2006-08-23 14:40

Message:
Logged In: NO 

Looks very nice! Is that a mockup, or actually coded?

----------------------------------------------------------------------

You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=370024&aid=1545249&group_id=20024