analyze_trajectory(utility::vector1< ChiInfo > const &chitrj, core::pose::Pose const &pose, utility::vector1< std::pair< core::Size, core::Size > > const &chidefs, core::Size const ligid, core::Real const Emin, core::Real const RT, bool const run_on_ligand, bool const run_on_receptor) const | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
apply(core::pose::Pose const &pose) const | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | |
chis2rotid(utility::vector1< core::Real > const &chis) const | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
chiweights_ | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
EntropyEstimator(core::scoring::ScoreFunctionOP sfxn, core::pose::Pose const &pose, core::Size const ligid) | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | |
estimate_Stors(core::pose::Pose pose, core::Size const ligid, utility::vector1< ChiInfo > &chitrj, utility::vector1< core::Size > const &flexscs, utility::vector1< std::pair< core::Size, core::Size > > const &chidefs, bool const run_on_ligand, bool const run_on_receptor) const | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
get_chi_weight(core::pose::Pose const &pose_ref) | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
get_contacting_reslist(core::pose::Pose const &pose, utility::vector1< std::pair< core::Size, core::Size > > &chidefs) const | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
get_temperature(core::Size const it) const | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
iter_collect_begin_ | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
ligid_ | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
maxpert_ | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
minimize_ | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
niter_ | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
P_randomize_ | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
perturb(core::pose::Pose &pose, core::Size const ligid, core::Size const nligchi, utility::vector1< core::Size > const &flexscs, bool &pert_ligand) const | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
run_apostate_ | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
run_holostate_ | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
sample_every_iter_ | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
set_niter(core::Size setting) | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | inline |
setup_trj(core::pose::Pose const &pose, utility::vector1< core::Size > &flexscs, utility::vector1< std::pair< core::Size, core::Size > > &chidefs) const | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
sfxn_ | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
temp_f_ | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
temp_i_ | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
update_chis(core::conformation::Residue const &rsd, utility::vector1< core::Real > &chis) const | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
update_flexscs(core::pose::Pose const &pose, utility::vector1< std::pair< core::Size, core::Size > > const &chidefs, std::map< core::Size, utility::vector1< core::Real > > &chis) const | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
weighted_ | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
wRG_ | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
wtors_ | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | private |
~EntropyEstimator() | protocols::ligand_docking::ga_ligand_dock::EntropyEstimator | inline |