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BALL::EvolutionaryDocking Member List

This is the complete list of members for BALL::EvolutionaryDocking, including all inherited members.

abort() | BALL::DockingAlgorithm | virtual
abort_ | BALL::DockingAlgorithm | protected
ALL_INTERMEDIATE_POSES enum value | BALL::DockingAlgorithm |
applyBestConformation() | BALL::EvolutionaryDocking | protected
BEST_INTERMEDIATE_POSES enum value | BALL::DockingAlgorithm |
calculateRMSD(const AtomContainer &S1, const AtomContainer &S2, int *no_matched_atoms=NULL) | BALL::DockingAlgorithm |
destroy_() | BALL::EvolutionaryDocking | protected
display_mode_ | BALL::DockingAlgorithm | protected
DISPLAYMODE enum name | BALL::DockingAlgorithm |
DockingAlgorithm() | BALL::DockingAlgorithm |
DockingAlgorithm(System &receptor, System &ligand, Options &new_options) | BALL::DockingAlgorithm |
DockingAlgorithm(System &receptor, System &ligand) | BALL::DockingAlgorithm |
dockLigand(AtomContainer &ligand, bool verbose=0) | BALL::EvolutionaryDocking | virtual
dp_ | BALL::EvolutionaryDocking | protected
EvolutionaryDocking(System &system1, System &system2, Options &new_options) | BALL::EvolutionaryDocking |
EvolutionaryDocking(System &receptor, System &ligand, string config_file) | BALL::EvolutionaryDocking |
finish() | BALL::DockingAlgorithm | virtual
finished_ | BALL::DockingAlgorithm | protected
ga_ | BALL::EvolutionaryDocking | protected
getConformationSet(Index total_conformations=0) | BALL::DockingAlgorithm | virtual
getDefaultOptions(Options &options) | BALL::EvolutionaryDocking | static
getDisplayMode() | BALL::DockingAlgorithm |
getLigand() | BALL::DockingAlgorithm |
getName() | BALL::DockingAlgorithm |
getProgress() const | BALL::EvolutionaryDocking | virtual
getReferenceLigand() | BALL::DockingAlgorithm |
getReferenceLigandCenter() | BALL::EvolutionaryDocking |
getScoringFunction() | BALL::DockingAlgorithm |
getVisualizationPose() | BALL::DockingAlgorithm |
getVisualizationPoseScore() | BALL::DockingAlgorithm |
hasFinished() const | BALL::DockingAlgorithm | virtual
ligand_ | BALL::DockingAlgorithm | protected
mapCompounds(const AtomContainer &S1, const AtomContainer &S2, Size &no_matched_heavy_atoms, double &rmsd, double upper_bound, double lower_bound, double tolerance) | BALL::DockingAlgorithm | static
mapLigandOntoReferenceLigand() | BALL::DockingAlgorithm | protected
min_sec_between_visualizations_ | BALL::DockingAlgorithm | protected
name_ | BALL::DockingAlgorithm | protected
new_pose_to_be_visualized | BALL::DockingAlgorithm |
NO_DISPLAY enum value | BALL::DockingAlgorithm |
NO_INTERMEDIATE_POSES enum value | BALL::DockingAlgorithm |
OPTION_FILE_PARAMETER_NAME | BALL::DockingAlgorithm | static
options | BALL::DockingAlgorithm |
parameter_filename_ | BALL::DockingAlgorithm | protected
pause() | BALL::DockingAlgorithm | virtual
pause_ | BALL::DockingAlgorithm | protected
proceed() | BALL::DockingAlgorithm | virtual
processMultiMoleculeFile(string input_filename, string output_filename, double score_cutoff, vector< double > *min_atoms_in_ref_areas=0, String toolinfo="", String timestamp="") | BALL::DockingAlgorithm |
readOptionFile(String filename, Options &output_options, list< Constraint * > &output_constraints, const AtomContainer *ref_ligand=0) | BALL::DockingAlgorithm | static
receptor_ | BALL::DockingAlgorithm | protected
redraw() | BALL::EvolutionaryDocking |
reference_center_ | BALL::EvolutionaryDocking | protected
reference_ligand_ | BALL::DockingAlgorithm | protected
reset() | BALL::DockingAlgorithm | virtual
scoring_function_ | BALL::DockingAlgorithm | protected
scoring_type_ | BALL::DockingAlgorithm | protected
setDisplayMode(DISPLAYMODE display_mode) | BALL::DockingAlgorithm |
setLigand(AtomContainer *ligand) | BALL::DockingAlgorithm |
setMaxFps(int no) | BALL::DockingAlgorithm |
setScoringFunction(ScoringFunction *scoring) | BALL::DockingAlgorithm | inline
setup(System &ligand, BALL::ScoringFunction *sf, Options &new_options) | BALL::EvolutionaryDocking | virtual
setup(System &ligand, BALL::ScoringFunction *sf) | BALL::EvolutionaryDocking | virtual
setup(System &receptor, System &ligand, Options &new_options) | BALL::EvolutionaryDocking | virtual
BALL::DockingAlgorithm::setup(System &receptor, System &ligand) | BALL::DockingAlgorithm | virtual
setVisualizationPose(const double &score) | BALL::DockingAlgorithm |
start() | BALL::EvolutionaryDocking | virtual
system1_ | BALL::DockingAlgorithm | protected
system2_ | BALL::DockingAlgorithm | protected
visualization_pose_ | BALL::DockingAlgorithm | protected
visualization_pose_score_ | BALL::DockingAlgorithm | protected
visualization_timer_ | BALL::DockingAlgorithm | protected
wasAborted() const | BALL::DockingAlgorithm | inline virtual
wasPaused() const | BALL::DockingAlgorithm | inline virtual
writeOptionFile(String filename, Options &input_options, list< Constraint * > &input_constraints) | BALL::DockingAlgorithm | static
writeSubcategories_(Options &category, std::ostream &out) | BALL::DockingAlgorithm | protected static
~DockingAlgorithm() | BALL::DockingAlgorithm | virtual
~EvolutionaryDocking() | BALL::EvolutionaryDocking |