Create method to save RotamerEnsemble instance as a new rotamer library.
mtessmer opened this issue · 1 comments
mtessmer commented
chiLife allows for a lot of arbitrary manipulations to RotamerEnsembles. Users may want to perform a task like fitting an underlying RotamerEnsemble to a set of data and save the RotamerEnsemble as a new custom library. A direct method would be preferable to saving a PDB and associated data and then reading that data to add_library.