tag:blogger.com,1999:blog-6186422654851147134.post8061920316397682510..comments2018-10-02T08:34:00.905-07:00Comments on CDK (Chemistry Development Kit): cdk varying out putsHarish Sankar, MCChttp://www.blogger.com/profile/15432475617386396516noreply@blogger.comBlogger2125tag:blogger.com,1999:blog-6186422654851147134.post-74404690801974677362011-01-08T01:00:43.054-08:002011-01-08T01:00:43.054-08:00hello Egon,
solved the curious case of ...hello Egon,<br /> solved the curious case of varying out put ,this line should do the trick<br />DescriptorEngine engine = new DescriptorEngine(DescriptorEngine.MOLECULAR,new String[]{"lib/cdk-1.3.7.jar"}); <br /><br />what i did was copied the necessary jar files(cdk1.3.7,jchem paint) to the same folder i had the program inHarish Sankar, MCChttps://www.blogger.com/profile/15432475617386396516noreply@blogger.comtag:blogger.com,1999:blog-6186422654851147134.post-55187296497963083662011-01-05T03:23:25.707-08:002011-01-05T03:23:25.707-08:00From what you say, it seems that the DescriptorEng...From what you say, it seems that the DescriptorEngine is not working on your Linux? There are not StackTraces or so, correct?<br /><br />Can you add this line to your 'second' program:<br /><br />engine.getDescriptorInstances().size()<br /><br />And indicate what values your linux and windows system are giving.<br /><br />BTW, please have a look at http://gist.github.com/ where you can leave source code, and then embed it in your blog, like I did here:<br /><br />http://chem-bla-ics.blogspot.com/2010/01/validating-mdl-sd-files-and-symyx.html<br /><br />Oh, and I added your blog to Planet CDK:<br /><br />http://pele.farmbio.uu.se/planetcdk/Egon Willighagenhttps://www.blogger.com/profile/07470952136305035540noreply@blogger.com