hyperres new implementation does not work as well on the acyl chains

marrink-lab / MDVoxelSegmentation

A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.

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hyperres new implementation does not work as well on the acyl chains #131

Open BartBruininks opened 7 months ago

BartBruininks commented 7 months ago

At some point the hyper es was changed from adding points to perform an extra voxel growth. Although its performance is better, it results are worse for really tight geometry. Therefore I think it would be better to revert the changes to hyper res and make it like it was.