Re: [Cdk-devel] Kabsch algorithm for alignment

[Rajarshi G. <rx...@ps...>]

On Sat, 2004-12-11 at 17:24 +0100, Christoph Steinbeck wrote:
> Rajarshi Guha wrote:
> > If so where would be a good point in the
> > hierarchy?
> 
> I vote for org.openscience.cdk.modeling
> How about a subpacke "alignment" there?

I was thinking of cdk.geometry - since the algorithm is not really
dependent on molecules as a whole - just sets of atoms. (Also since this
package already contains somewhat related classes (crystal operations
and geometric tools)


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