hai egon, solved the curious case of varying outputs... this line did the trick DescriptorEngine engine = new DescriptorEngine(DescriptorEngine.MOLECULAR,new String[]{"cdk-1.3.7.jar"});
i gave the absolute path of the cdk jar files ,it would be advisable to place the necessary jar files in the same folder as the program.
thank you soo mutch i really need who help me , i want to relate two fragment "acide.mol" and "amine.mol" from library the fragments how i can do this with CDK programing with java
hai egon, solved the curious case of varying outputs...
ReplyDeletethis line did the trick
DescriptorEngine engine = new DescriptorEngine(DescriptorEngine.MOLECULAR,new String[]{"cdk-1.3.7.jar"});
i gave the absolute path of the cdk jar files ,it would be advisable to place the necessary jar files in the same folder as the program.
thanks for the support.
Neat! I was not aware such was possible :)
ReplyDeletehi my name is ahlam i need who help me in cdk for programmation in java so please can you help me???
ReplyDeleteits been long since i have coded,but please do let me know what u want..
Deletethank you soo mutch i really need who help me , i want to relate two fragment "acide.mol" and "amine.mol" from library the fragments how i can do this with CDK programing with java
Delete