Hi all, I'm currently using the CDK framework for loading molecules into a screening program I'm developing. I have been parsing files from the MUV data set, but I have noticed that this data set contains cofactors as well as ligands. How do I avoid loading the cofactors from a data set when using CDK?
Thanks for you help, Thomas G. Kristensen PhD student, BiRC, Aarhus University, Denmark ------------------------------------------------------------------------------ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
