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 ------------------------------------------------------------------- Rajarshi Guha <rg...@indiana.edu> GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84 ------------------------------------------------------------------- Q: What's polite and works for the phone company? A: A deferential operator. ------------------------------------------------------------------------------ Open Source Business Conference (OSBC), March 24-25, 2009, San Francisco, CA -OSBC tackles the biggest issue in open source: Open Sourcing the Enterprise -Strategies to boost innovation and cut costs with open source participation -Receive a $600 discount off the registration fee with the source code: SFAD http://p.sf.net/sfu/XcvMzF8H _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
