[Joelib-help] Unique SMILES

[Joerg K. W. <we...@in...>]

Dear Sandeep Vaid,

please use for further correspondence the help or developer mailing 
list. This will avoid answering me questions multiple times.

This is done automatically, if you set in joelib/src/joelib.properties
joelib.io.types.Smiles.canonical=false
to
joelib.io.types.Smiles.canonical=true

The only problem is that this must be also be set in the 
joelib.properties file in
joelib/build
or
joelib.jar

So if you will compile the sources or build a distribution this will be 
done automatically. Otherwise you must changes these things on your own 
or use an additional copy of joelib.properties in the classpath.

Kind regards, Joer

> Respected Sir,
>                I want to convert smiles into canonical smiles.Please help me.
> 
> Thanking You,
> Sandeep
> 


-- 
Dipl. Chem. Joerg K. Wegner
Center of Bioinformatics Tuebingen (ZBIT)
Department of Computer Architecture
Univ. Tuebingen, Sand 1, D-72076 Tuebingen, Germany
Phone: (+49/0) 7071 29 78970
Fax: (+49/0) 7071 29 5091
E-Mail: mailto:we...@in...
WWW:    http://www-ra.informatik.uni-tuebingen.de
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