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OEChem TK classes
- OEAtomBondSet, [1], [2], [3], [4], [5], [6], [7], [8]
- OEColorStop, [1], [2], [3], [4]
- OEGetResidueIndex
- OEGroupBase
- OEInteractionHint
- OEInteractionHintContainer, [1], [2], [3], [4], [5], [6]
- OELibraryGen
- OELigandInteractionHintComponent
- OELinearColorGradient, [1], [2], [3], [4], [5], [6], [7], [8], [9]
- OEMolDatabase, [1], [2]
- OENearestNbrs
- OEPerceiveInteractionOptions, [1], [2]
- OEPlaceHydrogens
- OEProteinInteractionHintComponent
- OEResidue, [1]
- OESubSearch, [1], [2], [3]
- OESubsetMol
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OEChem TK examples
- activesitemaps2img.py
- activity2pdf.py
- addpartialcharge.py
- atomprop2img.py, [1]
- bfactor2img.py
- bfactormap2img.py, [1]
- can_am1_bcc.py
- complex2img.py
- contactmap2img.py
- csv2html.py
- csv2pdf.py
- csv2pptx.py
- csv2xlsx.py
- dihedral2img.py
- dipole2img.py
- elecdensity2img.py
- enumfrags.py
- enumsubstitutions.py
- fp2oeb.py
- fprocs2img.py
- frags2img.py
- frags2pdf.py
- fragxlogp2img.py
- fragxlogp2pdf.py
- getcore.py
- libgen2pdf.py
- mdlsearches2pdf.py
- mol2img.py
- moldb_complexitysort.py
- moldb_create.py
- moldb_gettitles.py
- moldb_molchunk.py
- moldb_molcount.py
- moldb_molextract.py
- moldb_randomsample.py
- moldb_simcalc.py
- moldb_titlesort.py
- properties2img.py
- psa2img.py
- psa2pdf.py
- rama2img.py
- reaction2img.py
- reordercsv.py
- reordercsv.py.py
- samering.py
- shapeoverlap2pdf.py
- simcalc2img.py
- simcalc2pdf.py
- symmetry2img.py
- unpairedmap2img.py
- xlogp2img.py
- xlogp2pdf.py
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OEChem TK functions
- OEAddExplicitHydrogens
- OEAtomGetResidue, [1]
- OEBuildMDLQueryExpressions, [1]
- OEDetermineComponents
- OEFindRingAtomsAndBonds
- OEGetSDDataIter, [1], [2], [3]
- OEGetTag, [1]
- OEGetTorsion
- OEHasResidue, [1]
- OEMMFF94PartialCharges, [1]
- OEMMFFAtomTypes
- OEMolToSmiles
- OEPerceiveInteractionHints, [1], [2], [3], [4], [5], [6]
- OEPerceiveSymmetry
- OEReadMDLQueryFile
- OEReadMDLReactionQueryFile
- OESetSDData
- OESubsetMol, [1], [2]
- OESuppressHydrogens, [1]
- OETriposAtomTypeNames
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OEChem TK namespaces
- OEExprOpts
-
OEChem TK predicate
- OEAtomIsInResidue
-
OEChem TK predicates
- OEAtomIsInProduct, [1]
- OEAtomIsInReactant
- OEHasGroupType
- OEHasMapIdx
- OEIsAtomMember, [1], [2], [3], [4]
- OEIsBondMember
- OEIsCarbon
- OEIsHeavy
- OEIsRotor
- OENotAtom
- OENotBond
- OEPartPredAtom
- OEUnaryAtomPred
- OEUnaryBondPred
- OEUnaryInteractionHintPred
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OEDepict TK class
- OE2DMolDisplay
- OEFont
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OEDepict TK classes
- OE2DMolDisplay, [1], [2], [3], [4], [5], [6], [7], [8], [9], [10], [11], [12], [13], [14], [15], [16]
- OE2DMolDisplayOptions, [1], [2], [3], [4], [5], [6], [7], [8], [9], [10]
- OEHighlightByBallAndStick
- OEHighlightByCogwheel
- OEHighlightByColor, [1]
- OEHighlightByStick
- OEImage, [1], [2], [3], [4], [5]
- OEImageFrame, [1], [2], [3]
- OEImageGrid, [1], [2]
- OEImageTable
- OEImageTableOptions
- OEPen
- OEPrepareDepictionOptions, [1]
- OEReport, [1], [2], [3], [4], [5], [6], [7]
- OESVGGroup, [1]
-
OEDepict TK examples
- activesitemaps2img.py
- activity2pdf.py
- atomprop2img.py, [1]
- bfactor2img.py
- bfactormap2img.py, [1]
- complex2img.py
- contactmap2img.py
- csv2html.py
- csv2pdf.py
- csv2pptx.py
- csv2xlsx.py
- dihedral2img.py
- dipole2img.py
- elecdensity2img.py
- enumfrags2pdf.py
- frags2img.py
- frags2pdf.py
- fragxlogp2img.py
- fragxlogp2pdf.py
- libgen2pdf.py
- mdlsearches2pdf.py
- properies2img.py
- psa2img.py
- psa2pdf.py
- rama2img.py
- reaction2img.py
- shapeoverlap2pdf.py
- simcalc2img.py
- simcalc2pdf.py
- symmetry2img.py
- unpairedmap2img.py
- xlogp2img.py
- xlogp2pdf.py
-
OEDepict TK functions
- OEAddHighlightOverlay
- OEAddHighlighting, [1], [2], [3], [4], [5], [6]
- OEAddSVGHover, [1]
- OEDrawBorder, [1]
- OEDrawCurvedBorder
- OEDrawSVGHoverText
- OEEstimateTextWidth, [1]
- OEGetCenter
- OEGetMoleculeScale, [1]
- OEPrepareAlignedDepiction, [1]
- OEPrepareDepiction, [1], [2], [3], [4], [5], [6], [7], [8], [9], [10]
- OERenderMolecule, [1], [2], [3], [4], [5], [6], [7], [8], [9], [10], [11], [12], [13], [14], [15], [16], [17], [18], [19], [20]
- OERenderMoleculeToString
- OEWriteImage, [1]
- OEGetActiveSiteInteractionHintTypes
- OEInteractionHint
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- OEInteractionHintComponentTypeBase
- OEInteractionHintContainer
- OEInteractionHintFragment
- OEInteractionHintTypeBase
- OEIsValidActiveSite
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OEMedChem TK examples
- enumfrags.py
- enumfrags2pdf.py
- frags2img.py
- frags2pdf.py
- fragxlogp2img.py
- fragxlogp2pdf.py
- moldb_complexitysort.py
-
OEMedChem TK functions
- OEGetFuncGroupFragments, [1], [2]
- OEGetRingChainFragments, [1], [2]
- OEGetRingLinkerSideChainFragments, [1], [2]
- OETotalMolecularComplexity
- OEPerceiveInteractionHints
- OEPerceiveInteractionOptions
-
Omega TK classes
- Omega
-
Omega TK examples
- can_am1_bcc.py
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