libSBML C API  5.18.0
Flux Balance Constraints

Detailed Description

The libSBML “fbc” extension implements support for the SBML Level 3 Flux Balance Constraints package. It can be used in SBML Level 3 Version 1 and Version 2 documents.

Introduction

Constraint based modeling is a widely accepted methodology used to analyze and study biological networks on both a small and whole organism (genome) scale. Typically these models are underdetermined and constraint based methods (e.g. linear, quadratic optimization) are used to optimize specific model properties. This is assumed to occur under a defined set of constraints (e.g. stoichiometric, metabolic) and bounds (e.g. thermodynamic, experimental and environmental) on the values that the solution fluxes can obtain.

Perhaps the most well known (and widely used) analysis method is Flux Balance Analysis (FBA), which is performed on Genome Scale Reconstructions. When using FBA, a target flux is optimized (e.g., to maximize a flux to biomass or minimize ATP production) while other fluxes can be bounded to simulate a selected growth environment or specific metabolic state.

As constraint based models are generally underdetermined, i.e., few or none of the kinetic rate equations and related parameters are known, it is crucial that a model definition includes the ability to define optimization parameters such as objective functions, flux bounds and constraints. This is not well-supported in SBML Level 3 Core. The question of how to best encode constraint-based models in SBML is not new. However, advances in the methods used to construct genome scale constraint-based models and the wider adoption of constraint based modeling in biotechnological/medical applications have led to a rapid increase in both the number of models being constructed and the tools used to analyze them.

Faced with such growth, both in number and diversity, the need for a standardized data format for the definition, exchange and annotation of constraint based models has become critical. As the core model components (e.g., species, reactions, stoichiometry) can already be efficiently described in SBML, the Flux Balance Constraints (FBC) package is designed to extend SBML Level 3 Core by adding the elements necessary to encode current and future constraint-based models.

In version 2 of this package, the ability to encode gene products and gene product references was added, and the encoding of flux bounds was modified to reference parameters, instead of holding directly-encoded values.

Authors

The primary authors of the SBML Level, 3 Flux Balance Constraints package are Brett G. Olivier and Frank T. Bergmann.

The specification for this SBML package

This API documentation for libSBML does not provide a complete explanation of the SBML Level 3 Flux Balance Constraints (“fbc”) package. If you are developing software that uses “fbc”, you are strongly urged to read the actual specification for the package. A link to the specification document current is provided below, along with a link to the page of known issues (if any).

Specification for SBML Level 3 Flux Balance Constraints, current at the time of this libSBML release (5.18.0). Note: an Internet connection is required to access these documents.
Specification (in PDF format) Known issues
Flux Balance Constraints package, Version 1 Release 1 Errata page
Flux Balance Constraints package, Version 2 Release 1 Errata page

Data Structures

class  Association_t
 fbc Annotation helper class for “fbc” Version 1. More...
 
class  CobraToFbcConverter_t
 fbc COBRA to SBML Level 3 “fbc” converter. More...
 
class  FbcAnd_t
 fbc An “and” relationship for gene products More...
 
class  FbcAssociation_t
 fbc Base class for FbcAnd_t, FbcOr_t, and GeneProductRef_t More...
 
class  FbcExtension_t
 fbc Base extension class for the “fbc” package. More...
 
class  FbcModelPlugin_t
 fbc Extension of Model_t. More...
 
class  FbcOr_t
 fbc An “or” relationship for gene products More...
 
class  FbcPkgNamespaces_t
 fbc SBMLNamespaces_t extension for the “fbc” package. More...
 
class  FbcReactionPlugin_t
 fbc Extension of Reaction_t by the “fbc” package. More...
 
class  FbcSBMLDocumentPlugin_t
 fbc Extension of SBMLDocument_t for the “fbc” package. More...
 
class  FbcSpeciesPlugin_t
 fbc Extension of Species_t. More...
 
class  FbcToCobraConverter_t
 fbc SBML Level 3 “fbc” to COBRA converter. More...
 
class  FbcV1ToV2Converter_t
 fbc Convert “fbc” Version 1 models to Version 2 More...
 
class  FbcV2ToV1Converter_t
 fbc Convert “fbc” Version 2 models to Version 1 More...
 
class  FbcValidator_t
 fbc Entry point for package validation. More...
 
class  FluxBound_t
 fbc Max or min value for a reaction flux. More...
 
class  FluxObjective_t
 fbc An objective function for a flux. More...
 
class  GeneAssociation_t
 fbc Annotation helper class for “fbc” Version 1. More...
 
class  GeneProduct_t
 fbc Association_t of a gene product with a Reaction_t More...
 
class  GeneProductAssociation_t
 fbc Association_t between gene products and reactions More...
 
class  GeneProductRef_t
 fbc Reference to a gene product of a reaction More...
 
class  ListOfFbcAssociations_t
 fbc A list of FbcAssociation_t objects. More...
 
class  ListOfGeneProducts_t
 fbc A list of GeneProduct_t objects. More...
 
class  ListOfObjectives_t
 fbc A list of Objective_t objects. More...
 
class  Objective_t
 fbc An objective function. More...
 

Data Structure Documentation

class CobraToFbcConverter_t
class FbcExtension_t
class FbcPkgNamespaces_t
class FbcSBMLDocumentPlugin_t
class FbcToCobraConverter_t
class FbcV1ToV2Converter_t
class FbcV2ToV1Converter_t
class FbcValidator_t
class GeneAssociation_t