1- function [ecModel ,ecModel_batch ] = enhanceGEM_cellLine(cellName )
1+ function [ecModel ,ecModel_batch ] = enhanceGEM_cellLine(cellName , GECKO_path )
22% enhanceGEM_cellLine
33%
44% Function that loads a cell-line or tissue specific human metabolism model
1616%
1717% Usage: [ecModel,ecModel_batch] = enhanceGEM_cellLine(cellName)
1818%
19- % Ivan Domenzain. Last edited: 2019-05-15
19+ % Ivan Domenzain. Last edited: 2019-11-20
2020
2121current = pwd ;
2222org_name = ' homo sapiens' ;
2323% Load original model
24- model = load([' ../models/' cellName ' /' cellName ' .mat' ]);
24+ model = load([' ../models/' cellName ' /' cellName ' .mat' ]);
2525eval([' model = model.' cellName ])
26- % model = model.model;
27- % %%%%%%%%%%%%%%%%%%%%%%% model preprocessing %%%%%%%%%%%%%%%%%%%%%%%%%%
28- % model_modified = ravenCobraWrapper(model);
26+ %% model preprocessing
2927model_modified = modelModifications(model );
3028% Save models
31- cd ([' ../models/' cellName ])
32- save(' model.mat' ,' model' )
33- save(' model_modified.mat' ,' model_modified' )
34- % %%%%%%%%%%%%%%%%%%%%%%% GECKO modifications %%%%%%%%%%%%%%%%%%%%%%%%%%
29+ save([' ../models/' cellName ' /model.mat' ],' model' )
30+ save([' ../models/' cellName ' /model_modified.mat' ],' model_modified' )
31+ %% GECKO pipeline
3532% Retrieve kcats & MWs for each rxn in the model from Uniprot database:
36- cd ([ GECKO_path ' /geckomat/get_enzyme_data' ])
33+ cd GECKO /geckomat/get_enzyme_data
3734model_data = getEnzymeCodes(model_modified );
3835% Tries to Match kinetic coefficients to every reaction with a non empty
3936% grRule
4037kcats = matchKcats(model_data ,org_name );
4138% Save ecModel data
42- cd (current )
43- cd ([' ../models/' cellName ])
44- mkdir Data
45- cd Data
46- save(' enzData.mat' ,' model_data' ,' kcats' );
47- cd (current )
39+ newDir = [' ../../../../models/' cellName ' /Data' ];
40+ mkdir(newDir )
41+ save([newDir ' /enzData.mat' ],' model_data' ,' kcats' );
4842% GEt ecModel matlab structure
4943model_data = removeFields(model_data );
50- cd ([ GECKO_path ' /geckomat/ change_model' ])
44+ cd ../ change_model
5145ecModel = readKcatData(model_data ,kcats );
5246% Save output models:
53- cd (current )
54- cd ([' ../models/' cellName ])
55- save(' ecModel.mat' ,' ecModel' )
56- cd ([GECKO_path ' /geckomat/limit_proteins' ])
47+ save([' ../../../../models/' cellName ' /ecModel.mat' ],' ecModel' )
48+ cd ../limit_proteins
5749% Constrain total protein pool
5850Ptotal = 0.609 ; % HepG2 total protein content [g prot/gDw]
5951protCoverage = 0.5 ;
6052sigma = 0.5 ;
6153[ecModel_batch ,~ ,~ ] = constrainEnzymes(ecModel ,Ptotal ,sigma ,protCoverage );
62- cd ([' ../../../../models/' cellName ])
63- save(' ecModel_batch.mat' ,' ecModel_batch' )
64- cd (current )
54+ save([' ../../../../models/' cellName ' /ecModel_batch.mat' ],' ecModel_batch' )
6555end
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