Closed BartBruininks closed 5 years ago
Make MDAnalysis the basic frame input for clustering and ensure the resid/name etc can be used later on on the found clusters. Also be able to write the clusters as MDA frames/selections.
Works as intended. All inputs for functions are now atomgroups, residuegroups and universes.
Make MDAnalysis the basic frame input for clustering and ensure the resid/name etc can be used later on on the found clusters. Also be able to write the clusters as MDA frames/selections.