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marrink-lab / MDVoxelSegmentation

A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.
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PBC boundary make whole #2

Open BartBruininks opened 5 years ago

BartBruininks commented 5 years ago

The idea is that we should be able to quickly make clusters whole in the trajectory. Probably we will need MDAnalysis for the writing of the final trajectory file.

BartBruininks commented 2 years ago

This is being addressed in the mdvwhole library. Hopefully it will be merged soon.