Currently, there is only one supported choice of features---backbone dihedrals.
Would it be possible to integrate multiple choices in here, selectable by command-line arguments? Maybe --featurize {backbone | contacts} or something to at least allow us to easily support contacts as well?
Currently, there is only one supported choice of features---backbone dihedrals.
Would it be possible to integrate multiple choices in here, selectable by command-line arguments? Maybe
--featurize {backbone | contacts}or something to at least allow us to easily support contacts as well?