Re: [Cdk-jchempaint] Integrating JChemPaint with a web application

[Angel H. <ang...@ua...>]

Hi Nick 

I've being working in something related during the last month(s), so 
I hope I can give you some light.

> I would like to use a JChemPaint applet for the users who don't find
> typing SMILES comes naturally. What is the best way to do this? Can
> Javascript extract the SMILES from the current molecule?

This should be possible, but unfortunately is not working properly* 
right now (I am using version 2.3.2 of the applet). The workaround I 
found is to instruct the user to use JCP Editor menu, Report > 
Generate SMILES, copy its output and paste it into a text box in the 
page, whose value is then sent out.

Hopefully the programmers in JCP developer team will implement a fix 
for this and get the Javascript interface working soon; I know that 
Stefan  is working on this, after my request. The commands are
getSmiles() 
and 
getSmilesChiral() 

* In fact, I am interested in the chiral smiles, so I gave up trying 
to use the javascript call, but if you are OK with the simple smiles, 
maybe you can use the getSmiles() call successfully.


>or do I need
> to make some sort of plugin to add a button to JChemPaint which loads
> http://www.server.com/search.py?Q="<smiles>" ?

Can't help you here, don't know about plugins.

If you need some more details, please feel free to contact me.