atomTransition¶
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buildAtomTransitionNetwork
(model, rxnfileDir)[source]¶ Builds an atom transition network corresponding to a metabolic network from reaction stoichiometry and atom mappings.
Usage
ATN = buildAtomTransitionNetwork(model, rxnfileDir)Inputs
- model –
Structure with following fields:
- .S - The m x n stoichiometric matrix for the metabolic network
- .mets - An m x 1 array of metabolite identifiers. Should match metabolite identifiers in rxnfiles.
- .rxns - An n x 1 array of reaction identifiers. Should match rxnfile names in rxnFileDir.
- .lb - An n x 1 vector of lower bounds on fluxes.
- .ub - An n x 1 vector of upper bounds on fluxes.
- rxnfileDir – Path to directory containing rxnfiles with atom mappings for internal reactions in S. File names should correspond to reaction identifiers in input rxns.
Output
- ATN –
Structure with following fields:
- .A - A p x q sparse incidence matrix for the atom transition network, where p is the number of atoms and q is the number of atom transitions.
- .mets - A p x 1 cell array of metabolite identifiers to link atoms to their metabolites. The order of atoms is the same in A as in the molfile for each metabolite.
- .rxns - A q x 1 cell array of reaction identifiers to link atom transitions to their reactions. The order of atom transitions is the same in A as in the rxnfile (with atom mappings) for each reaction.
- .elements - A p x 1 cell array of element symbols for atoms in A.
- model –
Structure with following fields:
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extractElementalTransitionNetwork
(ATN, elements)[source]¶ Extracts specific chemical elements from an atom transition network.
Usage
ETN = extractElementalTransitionNetwork(ATN, elements)Inputs
- ATN – An atom transition network
- elements – A cell array of element symbols, e.g., ‘C’ for carbon or {‘C’ ‘O’} for carbon and oxygen
Output
- ETN – An elemental transition network for the specified elements
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renameDREAMOutputFiles
(zipfile, indir, outdir)[source]¶ Replaces DREAM file names with original file names.
Usage
renameDREAMOutputFiles(zipfile, indir, outdir)Inputs
- zipfile – name of zipfile submitted to the DREAM server
- indir – name of directory containing the DREAM output files
- outdir – name of directory where renamed files should be placed