BALL  1.4.79
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BALL::Rescoring Member List

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

addScoreContributions(Molecule *mol)BALL::Rescoring
calculateQuality(double &correlation, double &q2, double &std_error)BALL::Rescoring
check_applicability_BALL::Rescoringprotected
convert_BALL::Rescoringprotected
data_BALL::Rescoringprotected
experimental_affinities_BALL::Rescoringprotected
ff_filename_BALL::Rescoringprotected
free_energy_label_BALL::Rescoringprotected
generateScoreContributions_(Molecule *, vector< vector< double > > *, vector< double > *)BALL::Rescoringinlineprotectedvirtual
getName()BALL::Rescoring
loadModel(String filename)BALL::Rescoring
model_BALL::Rescoringprotected
name_BALL::Rescoringprotected
predicted_affinities_BALL::Rescoringprotected
recalibrate()BALL::Rescoring
rescore(Molecule *mol)BALL::Rescoringvirtual
Rescoring(AtomContainer &receptor, AtomContainer &reference_ligand, Options &options, String free_energy_label, ScoringFunction *sf)BALL::Rescoring
saveModel(String filename)BALL::Rescoring
scoring_function_BALL::Rescoringprotected
setup_()BALL::Rescoringprotected
stddev_out_BALL::Rescoringprotected
use_calibration_BALL::Rescoringprotected
~Rescoring()BALL::Rescoringvirtual
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