Re: [Cdk-user] JOElib converter

[Rajarshi G. <rg...@in...>]

On Feb 24, 2009, at 10:25 AM, Vincent Le Guilloux wrote:

> I was also wondering if there is any basic example of usage of CDK API
> (with source code), e.g. loading a sdf file and displaying molecules
> in a 2D or 3D viewer? I've checked documentation available but  I
> haven't found anything like that.

I have some utility methods that I use to speed things up. See

http://rguha.net/code/java/#guhautils

Note that the file reading helper methods are not meant to for large  
datasets - they're focused on convenience.

One problem currently is that the 1.2.x release candidate does not  
contain depiction code, so I also provide a modified version of 1.2.x  
that combines the latest JChemPaint code to support depictions (though  
it's slightly broken at this point)

In general, as Egon has pointed out, the best place for examples is  
the test sources

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Rajarshi Guha  <rg...@in...>
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