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Scilligence.MolEngine Namespace

MolEngine Cheminforamtics Core APIs
Classes
  ClassDescription
Public classAAMapping
Atom-by-atom mapping
Public classABMap
ABMap Class defines atom-bond map
Public classABSet
Atom-bond collection
Public classArrow
Arrow Class representing a reaction arrow
Public classAssayCurve
Public classAssayCurveDrawer
Public classAssayCurveDrawerFitFunction
Public classAssayPlate
Public classAtom
Atom Class
Public classAtomQuery
Public classBaseObj
Public classBiological
Public classBiologicalAminoAcids
Public classBiologicalDNAs
Public classBiologicalRNAs
Public classBiologicalUnit
Public classBond
Public classBondedAtom
Public classBracket
Public classBreadthFirst
Public classCode exampleCanonCode
CannonCode Class of a structure
Public classChiralities
Public classChiralitiesAtomChirality
Public classChiralitiesBondChirality
Public classChiralitiesChirality
Public classCode exampleCombi
Combi Class is used to do CombiChem enumeration
Public classCombiComponent
Public classCombiRFrag
Public classComposition
Public classCompositionElement
Public classCurve
Arrow Class representing a reaction arrow
Public classDepthFirst
Public classDllLoader
Public classForceField
Public classGdiGraphics
An IGraphics implementation that simply passes every call through to a GDI+ Graphics object.
Public classGenericMol
Public classGenericMolRGroups
Public classGenes
Public classGroup
Public classHelmParser
Public classIDGenerator
Public classIsotopeDistribution
Public classIsotopeDistributionPattern
Public classIsotopeDistributionPeak
Public classLicensedObject
Public classMemorySearch
MemorySearch enables fast chemical structure in memory Example:
MemorySearch ms = new MemorySearch();
ms.AddSdf("compounds.sdf");
MemorySearch.Record[] list = ms.Search("c1ccccc1", MemorySearch.SearchMode.Substructure, 100);
...
Public classMemorySearchLink
Public classMemorySearchQuery
A Search Query
Public classMemorySearchRecord
Record of MemorySearch
Public classMixture
Mixture Class representing a chemical mixture
Public classMixtureComponent
Component Class representing a mixture compoment
Public classMolBase
MolBase Class defines the common attributes and APIs for Molecule and Reaction
Public classMolDrawing
Public classMolDrawingMolDrawingHelper
Public classCode exampleMolecule
Molecule Class representing a molecule.
Public classMolException
Public classMolLicenseException
Public classCode exampleMolMapping
Molecule atom-by-atom mapping
Public classMolSet
MolSet Class represeting a collection of Molecule
Public classMolUtils
Public className2Structure
Public classNameExtractor
Arrow Class representing a reaction arrow
Public classNameExtractorEntity
Public classNonAB
Public classNormalization
Normalization Class defines rules to normalize molecules
Public classPeptideTool
Public classPeptideToolFragment
Public classPluginManager
Public classPlus
Plus Class representing a reaction plus
Public classPT
Periodic Table
Public classPTElement
Public classPTIsotope
Public classRadar
Public classCode exampleReaction
Reaction Class representing a single-step chemical reaction, which is composed of reactants, products and an arrow
Public classReactionMap
ReactionMap class to compute the reaction map
Public classCode exampleReactionMapping
Reaction atom-by-atom mapping
Public classReactionScheme
Public classRGroup
Public classRGroupDecomposition
Public classRing
Ring Class representing a topological ring
Public classRNATool
Public classRNAToolRibose
Public classRoundedRectangle
Public classRunScript
Public classRxnClassification
RxnClassification class
Public classRxnClassificationOld
RxnMatch class
Public classRxnScheme
Public classSaltTable
Public classSaltTableSalt
Public classScaffold
Public classSearchBase
Public classSearchBaseStop
Public classSequence
Public classSequenceChain
Public classSequenceDisulfide
Public classSequenceDisulfides
Public classSequenceNode
Public classSequenceAlignment
Public classSequenceAlignmentAlignment
Public classSequenceDoc
Public classSequenceDocAnnotation
Public classSequenceDocChain
Public classShape
Public classSharedArrayT
Public classSharedListT
Public classSketch
Sketch Class representing a generic sketch, which could be one Molecule, Reaction, or many structure with annotation text and shapes. Call AsReaction() to test if it is a Reaction; AsMolecule() to test if it is a Molecule. Sketch contains Atom, Bond, Arrow, Text, Plus objects.
Public classSketchSet
The object collection of a Sketch
Public classSpec
Public classSpecXY
Public classSpecYY
Public classSpectrum
Public classSSSR
Public classStructureCheck
Atom Class
Public classSuperAtoms
Public classSynonyms
Public classTautomer
Public classTautomerEnumerator
Public classText
Text Class representing a text object, which can be owned by Sketch
Public classTLC
Public classTLCSpot
Public classTopology
Public classTopologyMatrix
Public classTransform
Public classUIException
Interfaces
Delegates
Enumerations
  EnumerationDescription
Public enumerationAAMappingMode
Public enumerationABSetDirection
Public enumerationArrowStyle
Public enumerationBiologicalBioType
Public enumerationBondBondOrder
Public enumerationBondBondStereo
Public enumerationBondReactionCenter
Public enumerationBondTopology
Public enumerationChiralitiesCIP
Public enumerationChirality
Public enumerationFormulaMode
Public enumerationMemorySearchSearchMode
Chemical Structure Search Mode. FullStructure doesn't consider stereochemistry, ExactFullStructure does.
Public enumerationMolDrawingFormat
Public enumerationMolDrawingMolDrawingHelperAlign
Public enumerationMoleculeType
Public enumerationNameExtractorEntityType
Public enumerationPriority
Public enumerationReactionArrowType
Public enumerationRoundedRectangleCorners
Public enumerationSaltTableType
Public enumerationSequenceTopology
Public enumerationSequenceType
Public enumerationTopologyMatrixType