GEMDAT-repos / GEMDAT

Python toolkit for molecular dynamics analysis
https://gemdat.readthedocs.io
Apache License 2.0
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Return molecule trajectory from Orientations #306

Open stefsmeets opened 5 months ago

stefsmeets commented 5 months ago

We already have all the information for the grouping of molecules including their orientations. We could use those for a method that returns a molecule trajectory (essentially a Trajectory without Lattice).