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NOEs (distances) from a molecule #39

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aloctavodia opened this issue Nov 28, 2017 · 0 comments

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aloctavodia commented Nov 28, 2017 •

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Function to compute a set of distances in a molecule according to the pair of atoms listed in a NOE data file
This should be used to set a proper likelihood in bayesian model, or just list if the NOEs are satisfied (yes-no) or the rmsd between data and models.

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