You could try the Balloon conformer generation tool (http://users.abo.fi/mivainio/balloon/). It is available from Bioclipse, and hence you can easily create a Bioclipse script that manipulates the result with CDK.
Cheers, /Ola On 31 maj 2010, at 14.26, Thomas G. Kristensen wrote: > Hi all, > > Is it possible to generate molecule conformations in the CDK > framework? I have been unable to find functionality for identifying > rotatable bonds and methods for rotating parts of molecules around > bonds in the CDK API. > > Thanks in advance, > > Thomas > > ------------------------------------------------------------------------------ > > _______________________________________________ > Cdk-user mailing list > Cdk-user@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/cdk-user ------------------------------------------------------------------------------ _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
