Index

A

addContact() (Pose method) addPose() (DockingHandler method)

addResidueAtInferface() (Pose method) available_scores (Frequencies attribute)

B

baryLig (DockingHandler attribute)

baryRec (DockingHandler attribute) BSAS() (in module DockingPP.clustering)

C

clusterPoses() (DockingHandler method) clusters (DockingHandler attribute) cmap_poses() (DockingHandler property) computeContactMap() (DockingHandler method) computeDistance() (in module DockingPP.clustering)

computeFrequencies() (DockingHandler method) computeScore() (Pose method) contacts (Pose attribute) count_contact (Frequencies attribute) count_residue (Frequencies attribute)

D

DockingHandler (class in DockingPP.dockingHandler) DockingPP.clustering module DockingPP.dockingHandler module

DockingPP.frequencies module DockingPP.loader module DockingPP.pose module

E

euler (Pose attribute)

F

freq (DockingHandler attribute)

Frequencies (class in DockingPP.frequencies)

G

getContactFrequenciesAverage() (Frequencies method) getContactFrequenciesLogSum() (Frequencies method) getContactFrequenciesSquareSum() (Frequencies method) getContactFrequenciesSum() (Frequencies method) getRankedClusterRepresentatives() (DockingHandler method) getRankedClusters() (DockingHandler method)

getRankedPoses() (DockingHandler method) getResidueFrequenciesAverage() (Frequencies method) getResidueFrequenciesLogSum() (Frequencies method) getResidueFrequenciesSquareSum() (Frequencies method) getResidueFrequenciesSum() (Frequencies method) getScore() (Pose method) grid_dimension (DockingHandler attribute)

I

index (Pose attribute)

initial_euler (DockingHandler attribute)

L

ligand (DockingHandler attribute)

loadScores() (DockingHandler method) loadZdock() (in module DockingPP.loader)

M

module DockingPP.clustering DockingPP.dockingHandler DockingPP.frequencies DockingPP.loader DockingPP.pose

N

nb_poses_used (Frequencies attribute)

O

offsetLig (DockingHandler attribute)

offsetRec (DockingHandler attribute)

P

PdbAtoms (class in DockingPP.dockingHandler)

Pose (class in DockingPP.pose) poses (DockingHandler attribute)

R

receptor (DockingHandler attribute) rel_frequencies_contact() (Frequencies property) rel_frequencies_residue() (Frequencies property)

rescored_poses() (DockingHandler property) rescorePoses() (DockingHandler method) rescoring (Pose attribute) residues_interface (Pose attribute)

S

serializeRescoring() (DockingHandler method) serializeScores() (Pose method)

setLigand() (DockingHandler method) setReceptor() (DockingHandler method) step (DockingHandler attribute)

T

translation (Pose attribute)