addMutation(Index i, const String &new_frag_name) | BALL::DNAMutator | virtual |
alignBases_(AtomContainer *from, const Vector3 &from_connection, const Vector3 &to_connection, Atom *from_at) const | BALL::DNAMutator | private |
bases_ | BALL::DNAMutator | privatestatic |
canonizeName_(const String &frag_name) const | BALL::DNAMutator | private |
clearMutations() | BALL::DNAMutator | virtual |
db_ | BALL::Mutator | protected |
default_num_steps_ | BALL::DNAMutator | privatestatic |
DNAMutator(EnergyMinimizer *mini=NULL, ForceField *ff=NULL, FragmentDB *frag=NULL) | BALL::DNAMutator | |
ff_ | BALL::DNAMutator | private |
first_strand_ | BALL::DNAMutator | private |
freeFF_() | BALL::DNAMutator | private |
getAttachmentAtom(AtomContainer *res) const | BALL::DNAMutator | private |
getComplement_(const String &s) const | BALL::DNAMutator | private |
getConnectionAtom_(Atom *at) const | BALL::DNAMutator | private |
getNormalVector_(const Atom *at) const | BALL::DNAMutator | private |
getTorsionDefiningAtom_(Atom *atom) const | BALL::DNAMutator | private |
getTorsionDefiningAtom_(const Atom *atom) const | BALL::DNAMutator | private |
isPurine_(const Atom &baseNitrogen) const | BALL::DNAMutator | private |
isPyrimidine_(const Atom &baseNitrogen) const | BALL::DNAMutator | private |
keep_ff_ | BALL::DNAMutator | private |
mapping_ | BALL::DNAMutator | private |
mark_(AtomContainer *atoms) const | BALL::DNAMutator | private |
markBaseAtoms_(AtomContainer *res) const | BALL::DNAMutator | private |
MATCH_TORSION enum value | BALL::DNAMutator | |
matching_mode_ | BALL::DNAMutator | private |
MatchingMode enum name | BALL::DNAMutator | |
minimizer_ | BALL::DNAMutator | private |
MINIMUM_ANGLE enum value | BALL::DNAMutator | |
mutate(MutatorOptions opts=NONE) | BALL::Mutator | |
mutate_impl_(MutatorOptions opt) | BALL::DNAMutator | protectedvirtual |
mutateSingleBase_(Residue *res, const String &basename) const | BALL::DNAMutator | private |
Mutations typedef | BALL::DNAMutator | private |
mutations_ | BALL::DNAMutator | private |
Mutator(FragmentDB *db=0) | BALL::Mutator | |
MutatorOptions enum name | BALL::Mutator | |
MutIterator typedef | BALL::DNAMutator | private |
NONE enum value | BALL::Mutator | |
num_steps_ | BALL::DNAMutator | private |
optimize() | BALL::DNAMutator | virtual |
OPTIMIZE enum value | BALL::Mutator | |
optimize_(Fragment *frag) | BALL::DNAMutator | private |
prop_ | BALL::DNAMutator | private |
rotateBasesMatchTorsion_(AtomContainer *from, const Atom *to_connection_at, Atom *from_at, const Atom *to_at) const | BALL::DNAMutator | private |
rotateBasesMinAngle_(AtomContainer *from, const Vector3 &to_connection, Atom *from_at, const Atom *to_at) const | BALL::DNAMutator | private |
rotateSameBases_(AtomContainer *from, AtomContainer *to) const | BALL::DNAMutator | private |
second_strand_ | BALL::DNAMutator | private |
setFirstStrand(Chain *s1) | BALL::DNAMutator | |
setForceField(ForceField *ff) | BALL::DNAMutator | |
setFragmentDB(FragmentDB *db) | BALL::Mutator | |
setMatchingMode(MatchingMode mmode) | BALL::DNAMutator | |
setMaxOptimizationSteps(Size steps) | BALL::DNAMutator | |
setMinimizer(EnergyMinimizer *mini) | BALL::DNAMutator | |
setNucleotideMapping(const NucleotideMapping &bij) | BALL::DNAMutator | |
setSecondStrand(Chain *s2) | BALL::DNAMutator | |
setStrands(Chain *s1, Chain *s2) | BALL::DNAMutator | |
setup() | BALL::DNAMutator | virtual |
setUsedProperty(Property p) | BALL::DNAMutator | |
to_optimize_ | BALL::DNAMutator | private |
unmark_(AtomContainer *atoms) const | BALL::DNAMutator | private |
~DNAMutator() | BALL::DNAMutator | |
~Mutator() | BALL::Mutator | virtual |