Package schrodinger :: Package application :: Package phase :: Module hypothesis :: Class PhaseHypothesisHybrid

[frames] | no frames]

Class PhaseHypothesisHybrid

                object --+        
                         |        
infra.phase.PhpHypoAdaptor --+    
                             |    
               PhaseHypothesis --+
                                 |
                                PhaseHypothesisHybrid

Phase hypothesis created from both sites which will all be converted into static fragment sites, as well as standard sites found in the given reference ligand. Phase default feature defintions are used if not supplied.

Instance Methods

__init__(self, hypo_ID, static_sites, standard_sites, reference_ligand, feature_defintions=None)
Initializes a Phase hypothesis from phase.PhpHypoAdaptor

Inherited from PhaseHypothesis: addFeatureTypeEquivalencies, getSiteNumber, manageXvolIsOpen, setProjectTableEntry, title, visiblePropLabels, visibleRefCt, visibleTol, visibleXvol, write

Inherited from infra.phase.PhpHypoAdaptor: __repr__, __swig_destroy__, addAttr, addCnst, addCt, addIvol, addMask, addProp, addQsar, addRad, addRules, addSite, addTol, addTolByType, addXvol, buildAllAttr, convert, convertToStatic, deleteAttr, deleteSite, deleteSiteFast, getAddCtCount, getAddCts, getCnst, getFd, getHypoCt, getHypoID, getHypoSites, getIvol, getMask, getProp, getQsar, getRad, getRefCt, getRefSites, getRules, getSite, getSiteByDisplayName, getSiteCount, getSiteIndexFromDisplayName, getSiteTypes, getSummary, getTol, getXvol, hasAddCts, hasCnst, hasIvol, hasMask, hasQsar, hasRad, hasRefCt, hasRules, hasTol, hasXvol, merge, save, setHypoID, setRefCtTitle, updateSite, writeSummary

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties

Inherited from PhaseHypothesis: property

Inherited from infra.phase.PhpHypoAdaptor: thisown

Inherited from object: __class__

Method Details

init(self, hypo_ID, static_sites, standard_sites, reference_ligand, feature_defintions=None)
(Constructor)

Initializes a Phase hypothesis from phase.PhpHypoAdaptor

Parameters:

hypo_ID (str) - hypothesis ID
static_sites (list of phase.PhpSite) - sites which will be converted to static fragments
standard_sites (list of phase.PhpSite) - sites found in the reference structure
reference_ligand (MM_Index) - hypothesis reference ligand
feature_defintions (list of phase.PhpFeatureDefinition) - feature definitions used in the hypothesis

Overrides: object.__init__