Scilligence MolEngine Cheminformatics Toolkit (7.0)
Scilligence.MolEngine
AAMapping Class
AAMapping.Mode Enumeration
ABMap Class
ABSet Class
ABSet.Direction Enumeration
ABSet.SelectAtom Delegate
Arrow Class
Arrow.Style Enumeration
AssayCurve Class
AssayCurveDrawer Class
AssayCurveDrawer.IC50Function Class
AssayCurveDrawer.IFitFunction Interface
AssayCurveDrawer.MMFunction Class
AssayPlate Class
Atom Class
Atom.Query Class
BaseObj Class
Biological Class
Biological.AminoAcids Class
Biological.BioType Enumeration
Biological.DNAs Class
Biological.RNAs Class
Biological.Unit Class
Bond Class
Bond.BondOrder Enumeration
Bond.BondStereo Enumeration
Bond.ReactionCenter Enumeration
Bond.Topology Enumeration
BondedAtom Class
Bracket Class
BreadthFirst Class
CanonCode Class
Chiralities Class
Chiralities.AtomChirality Class
Chiralities.BondChirality Class
Chiralities.Chirality Class
Chiralities.CIP Enumeration
Chirality Enumeration
Combi Class
Combi.Component Class
Combi.RFrag Class
Composition Class
Composition.Element Class
CSVReader Class
CSVReader.FunReadLine Delegate
Curve Class
CurvePath Class
DepthFirst Class
DllLoader Class
ForceField Class
FormulaMode Enumeration
GdiGraphics Class
GenericMol Class
GenericMol.RGroups Class
Genes Class
Group Class
HelmParser Class
IDGenerator Class
IGraphics Interface
IPlugin Interface
IsotopeDistribution Class
IsotopeDistribution.Pattern Class
IsotopeDistribution.Peak Class
LicensedObject Class
MemorySearch Class
MemorySearch.Filter Delegate
MemorySearch.Link Class
MemorySearch.Query Class
MemorySearch.Record Class
MemorySearch.SearchMode Enumeration
Mixture Class
Mixture.Component Class
MolBase Class
MolDrawing Class
MolDrawing.Format Enumeration
MolDrawing.MolDrawingHelper Class
MolDrawing.MolDrawingHelper.Align Enumeration
Molecule Class
MoleculeType Enumeration
MolException Class
MolLicenseException Class
MolMapping Class
MolSet Class
MolUtils Class
Name2Structure Class
NameExtractor Class
NameExtractor.Entity Class
NameExtractor.EntityType Enumeration
NameExtractor.OnEntityFound Delegate
NonAB Class
Normalization Class
PeptideTool Class
PeptideTool.Fragment Class
Picture Class
PluginManager Class
Plus Class
Priority Enumeration
PT Class
PT.Element Class
PT.Isotope Class
Radar Class
Reaction Class
Reaction.ArrowType Enumeration
ReactionMap Class
ReactionMapping Class
ReactionScheme Class
RGroup Class
RGroupDecomposition Class
Ring Class
RNATool Class
RNATool.Ribose Class
RoundedRectangle Class
RoundedRectangle.Corners Enumeration
RunScript Class
RxnClassification Class
RxnClassificationOld Class
RxnScheme Class
SaltTable Class
SaltTable.Salt Class
SaltTable.Type Enumeration
Scaffold Class
SearchBase Class
SearchBase.Stop Class
Sequence Class
Sequence.Chain Class
Sequence.Disulfide Class
Sequence.Disulfides Class
Sequence.Node Class
Sequence.Topology Enumeration
Sequence.Type Enumeration
SequenceAlignment Class
SequenceAlignment.Alignment Class
SequenceDoc Class
SequenceDoc.Annotation Class
SequenceDoc.Bond Class
SequenceDoc.Chain Class
Shape Class
SharedArray(T) Class
SharedList(T) Class
Sketch Class
SketchSet Class
Spec Class
Spec.IXY Interface
Spec.XY Class
Spec.YY Class
Spectrum Class
SSSR Class
StructureCheck Class
SuperAtoms Class
Synonyms Class
Tautomer Class
Tautomer.Enumerator Class
Text Class
TLC Class
TLC.Spot Class
Topology Class
Topology.Matrix Class
Topology.MatrixType Enumeration
Transform Class
UIException Class
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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 classAssayCurveDrawerIC50Function
Public classAssayCurveDrawerMMFunction
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 classCSVReader
Public classCurve
Arrow Class representing a reaction arrow
Public classCurvePath
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:
Copy
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 classPicture
Image Class representing an image object, which can be owned by Sketch
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 classSequenceDocBond
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