Searched defs:rotamers (Results 1 – 5 of 5) sorted by relevance
77 OBRotamerList rotamers; in main() local
308 BitArray& rotamers = free_rotamers[i]; in simple_bound_sparse() local389 BitArray& rotamers = free_rotamers[i]; in simple_bound_dense() local473 BitArray& rotamers = free_rotamers[i]; in nested_bound() local672 BitArray& rotamers = (*free_rotamers)[i]; in find_greedy() local
514 OBRotamerList rotamers; in MakeSelection() local697 OBRotamerList rotamers; in GetConformers() local729 OBRotamerList rotamers; in IsGood() local925 OBRotamerList rotamers; in score_population() local
154 unsigned char *rotamers = new unsigned char [(NumRotors()+1)*NumRotamers()]; in Clone() local
1177 OBRotamerList rotamers; in SystematicRotorSearchInitialize() local1436 OBRotamerList rotamers; in RandomRotorSearchInitialize() local1606 OBRotamerList rotamers; in WeightedRotorSearch() local