Object[Simulation, Enthalpy]
A simulation to predict the binding of a hybridization reaction between two nucleic acid oligomers using nearest-neighbor parameters.
Organizational Information
Name
Name of this Object.
Format: Single
Class: String
Programmatic Pattern: _String
Pattern Description: A string.
ID
ID of this Object.
Format: Single
Class: String
Programmatic Pattern: _String
Pattern Description: The ID of this object.
Object
Object of this Object.
Format: Single
Class: Expression
Programmatic Pattern: Object[Simulation, Enthalpy, _String]
Pattern Description: The object reference of this object.
Type
Type of this Object.
Format: Single
Class: Expression
Programmatic Pattern: Object[Simulation, Enthalpy]
Pattern Description: Object[Simulation, Enthalpy]
Notebook
Notebook this object belongs to.
Format: Single
Class: Link
Programmatic Pattern: _Link
Pattern Description: An object of that matches ObjectP[Object[LaboratoryNotebook]].
Relation: Object[LaboratoryNotebook][Objects]
Status
The current status of the simulation.
Format: Single
Class: Expression
Programmatic Pattern: ProtocolStatusP
Author
The person who requested this simulation.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[User][SimulationsAuthored]
DateConfirmed
The date on which the simulation first entered processing or a backlog.
Format: Single
Class: Date
Programmatic Pattern: _?DateObjectQ
DateEnqueued
The date on which the simulation first entered processing or a backlog.
Format: Single
Class: Date
Programmatic Pattern: _?DateObjectQ
DateStarted
Date when this simulation was started.
Format: Single
Class: Date
Programmatic Pattern: _?DateObjectQ
DateCompleted
Date when this simulation was completed.
Format: Single
Class: Date
Programmatic Pattern: _?DateObjectQ
DateCanceled
Date when this simulation was canceled.
Format: Single
Class: Date
Programmatic Pattern: _?DateObjectQ
TimeElapsed
The time that was required to complete the simulation.
Format: Computable
Programmatic Pattern: GreaterEqualP[0 Day]
Expression: SafeEvaluate[{Field[DateCompleted], Field[DateStarted]}, Computables`Private`timeElapsed[Field[DateCompleted], Field[DateStarted]]]
Option Handling
UnresolvedOptions
The unresolved options entered into the simulation function that generated this object.
Format: Single
Class: Compressed
Programmatic Pattern: {_Rule...}
ResolvedOptions
The options resolved automatically by this simulation or entered by the requestor.
Format: Single
Class: Compressed
Programmatic Pattern: {_Rule...}
General
ReactionModel
Link to a model reaction describing this hybridization reaction.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Model[Reaction][EnthalpySimulations]
ReactantModels
Link to any model oligomer used as a reactant in the hybridization reaction.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
ProductModels
Link to any model oligomer used as a product in the hybridization reaction.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Reaction
The hybridization reaction whose binding enthalpy is being computed.
Format: Single
Class: Expression
Programmatic Pattern: ReactionP
Reactants
The reactants in the binding reaction for which the enthalpy is computed.
Format: Multiple
Class: Expression
Programmatic Pattern: StructureP
Products
The products in the binding reaction for which the enthalpy is computed.
Format: Multiple
Class: Expression
Programmatic Pattern: StructureP
Simulation Results
Enthalpy
Predicted binding enthalpy of a hybridization reaction between two nucleic acid oligomers. For a strand, the reaction considered is the strand binding to its reverse complement. For a structure, the reaction considered is the creation of all bonds in the structure.
Format: Single
Class: Real
Unit: 1 thermochemical kilocalorie per mole
Programmatic Pattern: UnitsP[KilocaloriePerMole]
EnthalpyStandardDeviation
Uncertainty in predicted enthalpy of a hybridization reaction between two nucleic acid oligomers. For a strand, the reaction considered is the strand binding to its reverse complement. For a structure, the reaction considered is the creation of all bonds in the structure.
Format: Single
Class: Real
Unit: 1 thermochemical kilocalorie per mole
Programmatic Pattern: UnitsP[KilocaloriePerMole]
EnthalpyDistribution
Distribution of predicted enthalpy of a hybridization reaction between two nucleic acid oligomers. For a strand, the reaction considered is the strand binding to its reverse complement. For a structure, the reaction considered is the creation of all bonds in the structure.
Format: Single
Class: Expression
Programmatic Pattern: DistributionP[KilocaloriePerMole]
Last modified on Mon 26 Sep 2022 15:43:53