package ‘biggr’ - universidad autónoma del estado de

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Package ‘BiGGR’ March 6, 2013 Type Package Title Creates an interface to BiGG database, provides a framework for simulation and produces flux graphs Version 1.8 Date 2013-01-31 Author Anand K. Gavai Maintainer Anand K. Gavai <[email protected]> Depends R (>= 2.14.0),LIM,igraph,Rgraphviz,minet,graph,rsbml,limSolve,diagram,hyperdraw Description This package provides an interface to simulate metabolic reconstruction from the BiGG database(http://bigg.ucsd.edu/). The package aids in performing flux balance analysis (FBA) on the similar lines of the COBRA toolbox(http://systemsbiology.ucsd.edu/Downloads/Cobra_Toolbox) but with the added value of visualizing the results in the form of a metabolic network using the graphviz framework. License GPL (>= 2) URL http://www.r-project.org, http://www.bioinformatics.nl Copyright THE BIGG DATABASE PROVIDED HEREIN IS ON AN ‘‘AS IS’’ BA- SIS,AND THE UNIVERSITY OF CALIFORNIA HAS NO OBLIGATION TO PROVIDE MAINTENANCE, SUPPORT, UPDATES, ENHANCEMENTS, OR MODIFICATIONS. THE UNIVERSITY OF CALIFORNIA MAKES NO REPRESENTATIONS AND EXTENDS NO WARRANTIES OF ANY KIND, EITHER IMPLIED OR EX- PRESS,INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY OR FITNESS FOR A PARTICULAR PURPOSE, OR THAT THE USE OF THE BIGG DATABASE WILL NOT IN- FRINGE ANY PATENT,TRADEMARK OR OTHER RIGHTS. LazyLoad yes NeedsCompilation no Repository CRAN Date/Publication 2013-03-06 11:42:22 1

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Page 1: Package ‘BiGGR’ - Universidad Autónoma del Estado de

Package ‘BiGGR’March 6, 2013

Type Package

Title Creates an interface to BiGG database, provides a framework forsimulation and produces flux graphs

Version 1.8

Date 2013-01-31

Author Anand K. Gavai

Maintainer Anand K. Gavai <[email protected]>

Depends R (>= 2.14.0),LIM,igraph,Rgraphviz,minet,graph,rsbml,limSolve,diagram,hyperdraw

Description This package provides an interface to simulate metabolicreconstruction from the BiGG database(http://bigg.ucsd.edu/).The package aids in performing flux balance analysis (FBA) on the similar lines of the COBRAtoolbox(http://systemsbiology.ucsd.edu/Downloads/Cobra_Toolbox)but with the added value of visualizing the results in the formof a metabolic network using the graphviz framework.

License GPL (>= 2)

URL http://www.r-project.org, http://www.bioinformatics.nl

Copyright THE BIGG DATABASE PROVIDED HEREIN IS ON AN ‘‘AS IS’’ BA-SIS,AND THE UNIVERSITY OF CALIFORNIA HAS NO OBLIGATION TO PROVIDEMAINTENANCE, SUPPORT, UPDATES, ENHANCEMENTS, OR MODIFICATIONS.THE UNIVERSITY OF CALIFORNIA MAKES NO REPRESENTATIONS ANDEXTENDS NO WARRANTIES OF ANY KIND, EITHER IMPLIED OR EX-PRESS,INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OFMERCHANTABILITY OR FITNESS FOR A PARTICULAR PURPOSE, OR THATTHE USE OF THE BIGG DATABASE WILL NOT IN-FRINGE ANY PATENT,TRADEMARK OR OTHER RIGHTS.

LazyLoad yes

NeedsCompilation no

Repository CRAN

Date/Publication 2013-03-06 11:42:22

1

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2 addReact2StoM

R topics documented:addReact2StoM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2attachMetAbbre . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3attachReactAbbre . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4createBiggModel . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5E.coli_iAF1260 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6E.coli_iJR904 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7getAdjMfromStoM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7getEdgeWidths . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8getFluxGraph . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9getRates . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10getSMfromModel . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11getStoichiometricMatrix . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12Glycolysis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12gnel . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13H.pylori_ilT341 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13H.sapiens_Recon_1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14M.barkeri_iAF692 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14model2hyperdraw . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15possibleExternals . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16pruneBiggModel . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17Recon2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18rmvReactFromStoM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19S.aureus_iSB619 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20S.cerevisiae_iND750 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20

Index 22

addReact2StoM adds a user defined reaction to stoichiometric matrix

Description

Adds a user defined reaction to stoichiometric matrix which is not found in the BiGG Database

Usage

addReact2StoM(sm,reactID,react)

Arguments

sm is of type incidence matrix representing reconstructions in the database.

reactID is of type character string representing the enzyme which catalyzes the reaction.

react is of type character string representing the actual reaction with co-efficients fore.g. glucose + ATP -> glucose 6-phosphate + ADP.

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attachMetAbbre 3

Details

This function should be used only when a reaction is not found in the reconstructions from BiGG

Value

sm returns a matrix of the entire reconstruction for an organizm(s) available fromthe BiGG Database with user defined reaction(s)

Warning

to be used only when a reaction is not found in the reconstructions

Author(s)

Anand K. Gavai <[email protected]>

See Also

getAdjMfromStoM,

Examples

data("Glycolysis")sm<-getSMfromModel(Glycolysis,"R_HEX1")smreactID<-"R_ABC"react<-"A+B->C+D"sm<-addReact2StoM(sm,reactID,react)sm

attachMetAbbre Attaches abbreviation prefix "M_" for the metabolite identifiers

Description

Attaches abbreviation prefix "M_" (Reactions)

Usage

attachMetAbbre(Metabolites)

Arguments

Metabolites This file is exported from database of metabolic reconstructions (BiGG) at http://bigg.ucsd.edu/bigg/main.pl

Value

A character vector with reaction names from reaction file Reactions with a prefix "R_" attached

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4 attachReactAbbre

Author(s)

Anand K. Gavai <[email protected]>

References

http://bigg.ucsd.edu/

Examples

## Not run:## The function is used to get abbreviation for the## reaction names from the reactions fileabbre<- attachMetAbbre("/examples/Metabolites.txt")abbre

## End(Not run)

attachReactAbbre Attaches abbreviation prefix "R_" for the reaction identifiers

Description

Attaches abbreviation prefix "R_" (Reactions)

Usage

attachReactAbbre(Reactions)

Arguments

Reactions This file is exported from database of metabolic reconstructions (BiGG) at http://bigg.ucsd.edu/bigg/main.pl

Value

A character vector with reaction names from reaction file Reactions with a prefix "R_" attached

Author(s)

Anand K. Gavai <[email protected]>

References

http://bigg.ucsd.edu/

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createBiggModel 5

Examples

## Not run:## The function is used to get abbreviation for the## reaction names from the reactions fileabbre<- attachReactAbbre("/examples/Metabolites.txt")abbre

## End(Not run)

createBiggModel createBiggModel

Description

creates a model file to be run for simulations of metabolic fluxes

Usage

createBiggModel(metabolites_file,reactions_file,maximize,equation_var,equation_value,constraint,externals)

Arguments

metabolites_file

is a dataframe of metabolites participating in a reaction. This file is exportedfrom database of metabolic reconstructions (BiGG) at http://bigg.ucsd.edu/bigg/searchMet.pl

reactions_file is a dataframe of reactions participating in a metabolic pathway. This file can beexported from database of metabolic reconstructions (BiGG) at http://bigg.ucsd.edu/bigg/main.pl

maximize is a character vector consisting the tag of the reaction(s) to be maximized orminimized

equation_var is a character vector specifying the name for the reaction to be maximized orminimized

equation_value is a numeric value for the reactions specified in equation_var

constraint is a character vector specifying the minimum and maximum values(boundary)under which the solution for the maximize reaction should fall

externals a character vector of metabolites as provided by the user for speficific pathwaysfor which FBA (flux balance analysis needs to be performed)

Value

A model file with with extension ".lim" is created

Note

none

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6 E.coli_iAF1260

Author(s)

Anand K. Gavai <[email protected]>

References

Soetaert K, van Oevelen D (2009). LIM: Linear Inverse Model examples and solution methods. Rpackage version 1.3

Examples

## The function is currently defined as

## Not run:metabolites_file<-"glycolysis_M.csv" # download from the BiGG databasereactions_file<-"glycolysis_R.csv" # download from the BiGG databasemaximize<-"R_PYK"equation_var<-"R_HEX1"equation_value<-1constraint<-"[0,1000]"externals<-c("glcD","pyr")model.lim<-createBiggModel(metabolites_file,reactions_file,maximize,equation_var,equation_value,constraint,externals)

## End(Not run)

E.coli_iAF1260 Ecoli dataset with ORFs and thermodynamic information

Description

A genome-scale metabolic reconstruction for Escherichia coli K-12 MG1655 that accounts for 1260ORFs and thermodynamic information

Usage

E.coli_iAF1260

Format

An sbml object of class rsbml

Source

Molecular Systems Biology, 3:121(2007)

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E.coli_iJR904 7

References

Feist, A.M., Henry, C.S., Reed, J.L., Krummenacker, M., Joyce, A.R., Karp, P.D., Broadbelt, L.J.,Hatzimanikatis, V., Palsson, B.O., A genome-scale metabolic reconstruction for Escherichia coliK-12 MG1655 that accounts for 1260 ORFs and thermodynamic information, olecular SystemsBiology, 3:121 (2007)

E.coli_iJR904 Ecoli genome-scale model

Description

An expanded genome-scale model of Escherichia coli K-12 (iJR904 GSM/GPR)

Usage

E.coli_iJR904

Format

An sbml object of class rsbml

Source

Genome Biology, 4(9): R54.1-R54.12 (2003)

References

Reed, J.L., Vo, T.D., Schilling, C.H., and Palsson, B.O., An expanded genome-scale model of Es-cherichia coli K-12 (iJR904 GSM/GPR), Genome Biology, 4(9): R54.1-R54.12 (2003).

getAdjMfromStoM getAdjMfromStoM

Description

constructs an adjacency matrix from a stoichiometric matrix

Usage

getAdjMfromStoM(sm, react_name, minimal)

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8 getEdgeWidths

Arguments

sm is a stoichiometric matrix (or incidence matrix) for the entire metabolic recon-struction for a given organism, as provided in the datasets of this package seegetStoichiometricMatrix

react_name is a character vector provided by the reactions file as exported from (BiGG) athttp://bigg.ucsd.edu/bigg/main.pl for a specific pathways of interest.

minimal logical if set to TRUE would leave out common biproducts of reactions for ex-ample: atp,adp,nadh,nadh2 etc. from the visualization

Value

adjM returns an object of class matrix for the selected reactions

Author(s)

Anand K. Gavai <[email protected]>

See Also

getStoichiometricMatrix

Examples

## Not run:data("Glycolysis")uptake<-"R_HEX1"sm<-getSMfromModel(Glycolysis,uptake)smreact_name<- attachReactAbbre("/examples/Reactions.txt") #attach abbreviationsadjM<- getAdjMfromStoM(sm,react_name,"TRUE")adjM #adjacency matrix or incidence matrix for the selected pathway

## End(Not run)

getEdgeWidths getEdgeWidths

Description

gets the descritized value for rates (fluxes) of reactioins to be displayed on the graph object

Usage

getEdgeWidths(rates, levels)

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getFluxGraph 9

Arguments

rates is a one dimentional numeric vector with values representing fluxes as computedfrom the LIM package from the model file

levels a numeric value representing the levels at which the fluxes need to be descritized

Value

dz_rates a one dimentional numeric vector of descritized rates for individual reactions

Author(s)

Anand K. Gavai <[email protected]>

See Also

getRates,createBiggModel

Examples

data("Glycolysis")levels<-7rates<-getRates(Glycolysis)dz_rates<-getEdgeWidths(rates,levels)dz_rates

getFluxGraph Gets graphical representation of a flux distribution

Description

Displays graphical representation of flux distribution using the Hypergraph package

Usage

getFluxGraph(gnel, rates,levels, layout)

Arguments

gnel A graphNEL object

rates a numeric vector representing descritized rates of fluxes as estimated from theLIM package

levels A numeric value giving the levels of descritization to be performed

layout A character striing representing layout from standard Graphviz library for e.g"dot","neato","circo","fdp","sfdp","twopi"

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10 getRates

Value

gnel returns an object of class RagraphBPH with values of fluxes attached to edges,to be used to be displayed by hypergraph

Author(s)

Anand K. Gavai <[email protected]>

See Also

getRates,getEdgeWidths,getAdjMfromStoM,getStoichiometricMatrix

Examples

## Not run:data("gnel")data("Glycolysis")rates<-getRates(gnel)levels<-7layout<-"dot"ragnel<-getFluxGraph(gnel,rates,levels,layout)ragnel

## End(Not run)

getRates Get Optimized Rates

Description

getRates takes the model file as the argument and based on the description of the model file gener-ates flux values for "minimum" or "maximum" reaction rates

Usage

getRates(modelFile)

Arguments

modelFile A model file as generated from the createBiggModel function

Value

The value returned is one dimentional numeric vector of flux rates for each reaction

Author(s)

Anand K. Gavai <[email protected]>

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getSMfromModel 11

See Also

getEdgeWidths

Examples

data("Glycolysis")rates<-getRates(Glycolysis)rates

getSMfromModel Get stochiometric matrix from the model file

Description

getSMfromModel takes the model file as the argument and returns the stochiometric matrix fromthe model file

Usage

getSMfromModel(modelFile,uptake)

Arguments

modelFile A character string giving the name of model file as generated from the create-BiggModel or pruneBiggModel function.

uptake A character string giving the name of the name of the uptake substrate.

Value

The value returned is a two dimentional matrix representing the stochiometric matrix

Author(s)

Anand K. Gavai <[email protected]>

See Also

getStoichiometricMatrix

Examples

data("Glycolysis")sm<-getSMfromModel(Glycolysis,"R_HEX1")sm

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12 Glycolysis

getStoichiometricMatrix

Get entire stoichiometric matrix from the metabolic reconstruction fora specific organism exported in SBML format

Description

get stoichiometric matrix from the model(sbmlobj), where sbmlobj is of type SBML

Usage

getStoichiometricMatrix(sbmlobj)

Arguments

sbmlobj is of class SBML.

Value

sm returns a matrix of the entire reconstruction for an organizm(s) available from the BiGG Database

Author(s)

Anand K. Gavai <[email protected]>

See Also

getAdjMfromStoM

Examples

data(H.sapiens_Recon_1)sm<-getStoichiometricMatrix(model(H.sapiens_Recon_1))sm

Glycolysis Metabolic reconstruction of Glycolysis pathway

Description

Model of Glycolysis pathway

Usage

Glycolysis

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gnel 13

Format

A model file created as an example

References

Gavai et al, BiGGR: An open source initiative for constraint-based modeling in R using the BiGGdatabase.

gnel Example graphnel object of Glycolysis pathway

Description

"Glycolysis"

Usage

gnel

Format

A graphnel object file created as an example

References

Gavai et al, "BiGGR: An open source initiative for constraint-based modeling in R using the BiGGdatabase".

H.pylori_ilT341 H.pylori in silico genome-scale characterization of single and doubledeletion mutants

Description

An Expanded Metabolic Reconstruction of Helicobacter pylori (iIT341 GSM/GPR): An in silicogenome-scale characterization of single and double deletion mutants

Usage

H.pylori_ilT341

Format

An sbml object of class rsbml

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14 M.barkeri_iAF692

Source

Journal of Bacteriology, 187(16): 5818-5830 (2005)

References

Thiele, I., Vo, T.D., Price, N.D. and Palsson, B., An Expanded Metabolic Reconstruction of He-licobacter pylori (iIT341 GSM/GPR): An in silico genome-scale characterization of single anddouble deletion mutants", Journal of Bacteriology, 187(16): 5818-5830 (2005)

H.sapiens_Recon_1 Human metabolic reconstruction

Description

"Global reconstruction of the human metabolic network based on genomic and bibliomic data"

Usage

H.sapiens_Recon_1

Format

An sbml object of class rsbml

Source

Proc. Natl Acad. Sci. 104(6):1777-82 (2007)

References

Duarte, N.D., Becker, S. A., Jamshidi, N., Thiele, I., Mo, M. L., Vo, T. D., Srivas, R., Palsson, B.O., "Global reconstruction of the human metabolic network based on genomic and bibliomic data",Proc. Nat Acad. Sci. 104(6):1777-82 (2007)

M.barkeri_iAF692 Metabolic reconstruction of M.barkeri

Description

"Modeling methanogenesis with a genome-scale metabolic reconstruction of Methanosarcina bark-eri"

Usage

M.barkeri_iAF692

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model2hyperdraw 15

Format

An sbml object of class rsbml

Source

Molecular Systems Biology, 2(1):msb4100046-E1-E14 (2006)

References

Feist, A.M., Scholten, J.C.M., Palsson, B.O., Brockman, F.J., and Ideker, T., "Modeling methano-genesis with a genome-scale metabolic reconstruction of Methanosarcina barkeri", Molecular Sys-tems Biology, 2(1):msb4100046-E1-E14 (2006)

model2hyperdraw Draws a hypergraph representation from a model file

Description

Convert a model file to a hypergraph representation

Usage

model2hyperdraw(modelFile,uptake,minimal,levels,layout)

Arguments

modelFile is a file created from createModel or pruneModel

uptake is a character vector representing the substrate uptake of in a metabolic process

minimal is a logical value TRUE or FALSE to visualize externals on a graph

levels is a numeric value to determine the levels of thickness of edges

layout is a character string representing the layout engine to be used for visualizationfor example "dot", "twopi","neato","fdp","sfdp" and "circo"

ValuegraphNEL object

returns an graphNEL object representation.

Author(s)

Anand K. Gavai <[email protected]>

See Also

graphBPH

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16 possibleExternals

Examples

## Not run:data("Glycolysis")uptake<-"glcD"minimal<-"TRUE"levels<-7layout<-"neato"gnel<-model2hyperdraw(Glycolysis,"glcD",TRUE,levels,layout)gnel

## End(Not run)

possibleExternals possibleExternals

Description

Finds the possible externals from an object of type liminput

Usage

possibleExternals(liminput)

Arguments

liminput is an object of type liminput

Note

none

Author(s)

Anand K. Gavai <[email protected]>

References

Soetaert K, van Oevelen D (2009). LIM: Linear Inverse Model examples and solution methods. Rpackage version 1.3

Examples

## Not run:data("Glycolysis")liminput<-Read(Glycolysis)ext<-possibleExternals(liminput)ext

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pruneBiggModel 17

## End(Not run)

pruneBiggModel pruneBiggModel

Description

prunes the model file which is created using the createBiggModel function

Usage

pruneBiggModel(modelFile,metabolites,reactions,maximize,equation_var,equation_value,constraint,externals)

Arguments

modelFile is a file as created from the createModel function.

metabolites is a dataframe of metabolites participating in a reaction. This file is exportedfrom database of metabolic reconstructions(BiGG)at http://bigg.ucsd.edu/bigg/searchMet.pl.

reactions is a dataframe of reactions participating in a metabolic pathway. This file can beexported from database of metabolic reconstructions (BiGG) at http://bigg.ucsd.edu/bigg/main.pl.

maximize is a character vector consisting the tag of the reaction(s) to be maximized orminimized.

equation_var is a character vector specifying the name for the reaction to be maximized orminimized.

equation_value is a numeric value for the reactions specified in reaction_init_flux.

constraint is a character vector specifying the minimum and maximum values(boundary)under which the solution for the maximize reaction should fall.

externals a character vector of metabolites as provided by the user for speficific pathwaysfor which FBA (flux balance analysis needs to be performed)

Value

A model file with with extension ".lim" is created

Note

none

Author(s)

Anand K. Gavai <[email protected]>

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18 Recon2

References

Soetaert K, van Oevelen D (2009). LIM: Linear Inverse Model examples and solution methods. Rpackage version 1.3

Examples

## Not run:## The function is currently defined asmetabolites_file<-"glycolysis_M.csv" # metabolites as exported from Bigg databasereactions_file<-"glycolysis_R.csv" # reactions as exported from Bigg databasemaximize<-"R_PYK"equation_var<-"R_HEX1"equation_value<-1constraints<-"[0,1000]"externals<-c("glcD","pyr")Model.LIM<-createBiggModel(metabolites_file,reactions_file,maximize,

equation_var,equation_value,constraints,externals)prunedModel.LIM<-pruneBiggModel(Model.LIM,metabolites_file,reactions_file,

maximize,equation_var,equation_value,constraints,externals)

## End(Not run)

Recon2 Human metabolic reconstruction

Description

"A community-driven global reconstruction of human metabolism"

Usage

Recon2.rda

Format

An sbml object of class rsbml

Source

Nature Biotechnology (2013)

References

Thiele I, Swainston N, et al.,"A community-driven global reconstruction of human metabolism",Nature Biotechnology, advanced online publication 3 March 2013

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rmvReactFromStoM 19

rmvReactFromStoM removes a reaction from the stoichiometric matrix

Description

Removes an existing reaction from the stoichiometric matrix

Usage

rmvReactFromStoM(sm,reactID)

Arguments

sm is of type incidence matrix representing reactions.reactID is of type character string representing the enzyme which catalyzes the reaction

found in the stochiometric matrix.

Details

This function should be used only when a reaction needs to be removed from the stochiometricmatrix

Value

sm returns a stoichiometric matrix with selected reaction removed.

Warning

to be used only when a reaction is not found in the reconstructions

Author(s)

Anand K. Gavai <[email protected]>

See Also

addReact2StoM

Examples

data("Glycolysis")sm<-getSMfromModel(Glycolysis,"R_HEX1")smreactID <- "R_PYK"csm<-smcsm[10,1]<-0csmsm<-rmvReactFromStoM(sm,reactID)sm

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20 S.cerevisiae_iND750

S.aureus_iSB619 Metabolic reconstruction of S.aureus

Description

"Genome-scale reconstruction of the metabolic network in Staphylococcus aureus N315: an initialdraft to the two-dimensional annotation"

Usage

S.aureus_iSB619

Format

An sbml object of class rsbml

Source

BMC Microbiology, 5(1):8 (2005)

References

Becker, S.A. and Palsson, B.O., "Genome-scale reconstruction of the metabolic network in Staphy-lococcus aureus N315: an initial draft to the two-dimensional annotation", BMC Microbiology,5(1):8 (2005)

S.cerevisiae_iND750 Metabolic reconstruction of S.cerevisiae

Description

"Reconstruction and Validation of Saccharomyces cerevisiae iND750, a Fully CompartmentalizedGenome-scale Metabolic Model"

Usage

S.cerevisiae_iND750

Format

An sbml object of class rsbml

Source

Genome Research, 14: 1298-1309 (2004)

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S.cerevisiae_iND750 21

References

Duarte, N.C., Herrgard, M.J., and Palsson, B.O., " Reconstruction and Validation of Saccharomycescerevisiae iND750, a Fully Compartmentalized Genome-scale Metabolic Model", Genome Re-search, 14: 1298-1309 (2004)

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Index

∗Topic Bipartite GraphgetFluxGraph, 9

∗Topic Glycolysisgnel, 13

∗Topic HyperdrawgetFluxGraph, 9

∗Topic HypergraphgetFluxGraph, 9

∗Topic Linear Inverse ModelscreateBiggModel, 5possibleExternals, 16pruneBiggModel, 17

∗Topic Linear OptimizationgetRates, 10

∗Topic Linear optimization model filecreateBiggModel, 5pruneBiggModel, 17

∗Topic Reaction matrixgetAdjMfromStoM, 7

∗Topic Stoichiometric matrixgetAdjMfromStoM, 7

∗Topic datasetsE.coli_iAF1260, 6H.pylori_ilT341, 13S.cerevisiae_iND750, 20

∗Topic ecoli2E.coli_iJR904, 7

∗Topic flux ratesgetRates, 10

∗Topic flux weightsgetEdgeWidths, 8

∗Topic hsapiensH.sapiens_Recon_1, 14Recon2, 18

∗Topic hyperdrawmodel2hyperdraw, 15

∗Topic hypergraphmodel2hyperdraw, 15

∗Topic mbarkeri

M.barkeri_iAF692, 14∗Topic model file

getSMfromModel, 11∗Topic saureus

Glycolysis, 12S.aureus_iSB619, 20

∗Topic stochiometric matrixgetSMfromModel, 11

∗Topic stoichiometric matrix,addreactions

addReact2StoM, 2∗Topic stoichiometric matrix,remove

reactionrmvReactFromStoM, 19

∗Topic stoichiometric matrixgetStoichiometricMatrix, 12

addReact2StoM, 2, 19attachMetAbbre, 3attachReactAbbre, 4

createBiggModel, 5, 9

E.coli_iAF1260, 6E.coli_iJR904, 7

getAdjMfromStoM, 3, 7, 10, 12getEdgeWidths, 8, 10, 11getFluxGraph, 9getRates, 9, 10, 10getSMfromModel, 11getStoichiometricMatrix, 8, 10, 11, 12Glycolysis, 12gnel, 13graphBPH, 15

H.pylori_ilT341, 13H.sapiens_Recon_1, 14

M.barkeri_iAF692, 14model2hyperdraw, 15

22

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INDEX 23

possibleExternals, 16pruneBiggModel, 17

Recon2, 18rmvReactFromStoM, 19

S.aureus_iSB619, 20S.cerevisiae_iND750, 20