msmbuilder-legacy
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Better sanity checks in ConvertProjectToHDF.py
We have the machinery set up to do this (validators), but I don't think the script actually uses any of it!
This would have prevented issue #309
I think this isn't too hard, but it does require us to preselect a reasonable distance or RMSD cutoff heuristic. The challenge here is that discarding data without justification (or warning) is an equally poor outcome.
I think we can at least check for the really obvious things, like NaN's and infinities
Yeah, good point we can do that always.