
There will be a EnsembleCluster tool in tomorrow's daily build for clustering NMR ensembles (totally undocumented at this point). We are still discussing how to integrate its capabilities into the MD Movie tool. I wouldn't expect anything to appear in the MD Movie tool for a couple of weeks at least. --Eric On Dec 18, 2007, at 6:25 AM, Francesco Pietra wrote:
Is it feasible to command a cluster analysis from rmsd? I would like to group for likeliness snapshots from MD with respect to, say, the structure from which MD was started.
Thanks francesco pietra
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