|virtual base class that has some common functionality More...|
|generates random rbconfs until a total of num_total_rbconfs_ are present in the cacheable observer. The diversifier is used to ensure that all newly generated confs are different. note: no scorefunction used More...|
|for every ligand that has additional stored rb conformations in the enzdes cacheable observer, the one currently in the pose gets exchanged with a random stored one More...|
|rotamer trials/minimizes each of the ligand conformations stored in the enzdes cacheable observer and overwrites them with the minimized position. if the new, minimized position is too close to one that already exists, a random small perturbation is applied to ensure diversity note: only jump minimization More...|
|uses a docking mover to diversiy the stored confs until they're all min_rms_ away from each other note: no scorefunction used here More...|
The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.