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Weighted Umeyama transformation?

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yesint
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Weighted Umeyama transformation?

Sat Apr 09, 2011 7:08 am
Dear All,
It is great that Eigen now supports Umeyama transformation, which is especially useful in molecular simulations and analysis. However there is a problem. In real life Umeyama transform is typically used to fit two molecules together, which means that the positions of their atoms must be mass-weighted. As far as I can see Umeyama in Eigen does not support any weighting. This makes it very limited in real life usage. Am I missing something? Consider this a feature request if weighting is really not supported.

Regards,
Semen
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bjacob
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If you don't want this feature request to get forgotten, please file it in bugzilla. I suggest CC'ing Hauke, who wrote the existing Umeyama implementation.


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