Re: [Scaffoldhunter-users] introduction

[<nl...@us...>]

Hi Prateek,

On Wednesday 17 April 2013 21:25:21 Prateek Gupta wrote:
> I have understood some part of the literature and also trying to understand
> the required part of the source code for the filtering framework in the
> related modules.I want to know that does supporting rules like "all
> molecules that contain fragment z" implies to the containing of
> differentiating "features" (which are the hash-key in the CT-index method)
> of the molecules in the database mining search approach?

a query for all molecules that contain fragment z (where z is a user-specified 
structure) can be solved by CT-Index. The details of the approach like the 
fragments encoded by the hash-key fingerprint are not important for the 
project. JChemPaint should be integrated to specify the fragment z and CT-
Index should be used to answer the query.

>  Also But When trying to build jchempaint , I countinuously get the
> following error.
> 
> BUILD FAILED
> /home/prateek/Downloads/project/JChemPaint-jchempaint-b0b34cb/build.xml:711:
> /home/ralf/remote/CDK/jar does not exist.
> 
> What should i do?
> Cause I need to know how exactly and efficiently does jchempaint editor
> does it!

JChemPaint requires CDK, you may want to modify the file build.xml and adjust 
the path to your CDK library. Or refer to this page for further information on 
building JChemPaint:
https://github.com/JChemPaint/jchempaint/wiki/Development-jcp


Regards,
Nils