def main(): main_html = HtmlWriter('res/fba.html') main_html.write('<h1>Flux Balance Analysis</h1>\n') carbon_sources = {} BM_lower_bound = 0.01 ko_reactions = '' ki_reactions = '' PPP_reaction = '' # full model carbon sources: glc, fru, xyl__D, succ, ac, rib__D, pyr ######################################### # Core model for testing glycolysis KOs # ######################################### #model = init_wt_model('core', {'ac' : -10}); ko_reactions = 'PGM'; ki_reactions = 'RED'; #model = init_wt_model('core', {'glc' : -10}); ko_reactions = 'PFK'; ki_reactions = 'RED'; ####################################### # Full model Rubisco optimization KOs # ####################################### #model = init_wt_model('full', {'ac' : -10}); ko_reactions = 'PGM,TRSARr,HPYRRx,HPYRRy'; ki_reactions = 'RED'; #model = init_wt_model('full', {'rib_D' : -10}); ko_reactions = 'TKT1'; ki_reactions = 'RBC,PRK'; PPP_reaction = 'RBC'; model = init_wt_model('full', {'xyl_D': -10}) ko_reactions = 'RPI' ki_reactions = 'RBC,PRK' PPP_reaction = 'RBC' #model = init_wt_model('full', {'xyl_D' : -10}); ko_reactions = 'G6PDH2r,PFK,F6PA,FRUK,PFK_3,DRPA'; ki_reactions = 'RBC,PRK'; #model = init_wt_model('full', {'fru' : -10, 'rib_D' : -10}); ko_reactions = 'G6PDH2r,PFK,F6PA,FRUK,PFK_3,DRPA,TKT1,TKT2'; ki_reactions = 'PKT'; ############################### # Shikimate generating strain # ############################### #model = init_wt_model('full', {'fru' : -10}); #ko_reactions = 'G6PDH2r,TALA'; ki_reactions = 'EX_3dhsk_c'; PPP_reaction = 'EX_3dhsk_c'; #ko_reactions = 'G6PDH2r,PFK,F6PA,FRUK,PFK_3,DRPA'; ki_reactions = 'PKT'; PPP_reaction = 'PKT'; ########################################################## # Testing no growth when electrons are provided directly # ########################################################## #model = init_wt_model('full', {}); ki_reactions = 'RED'; #ko_reactions = "POR5,MCITL2"; #ko_reactions = "POR5,FTHFLi,GART,RPI"; models = {'WT': model} if ko_reactions: for k in models.keys(): m = deepcopy(models[k]) knockout_reactions(m, ko_reactions) models[k + ' -%s' % ko_reactions] = m if ki_reactions: for k in models.keys(): m = deepcopy(models[k]) knockin_reactions(m, ki_reactions) models[k + ' +%s' % ki_reactions] = m # Run the optimization for the objective reaction and medium composition # set in the file. main_html.write('<table border="1">\n') main_html.write( '<tr><td><b>Model Name</b></td><td><b>Growth Yield</b></td></tr>\n') growths = {} for name, model in sorted(models.iteritems()): print "solving %50s model" % name, ok = OptKnock(model) ok.prepare_FBA_primal() ok.solve() growths[name] = ok.get_objective_value() if growths[name] is None: main_html.write('<tr><td>%s</td><td>infeasible</td></tr>\n' % name) else: print ': f = %.3g' % growths[name] main_html.write('<tr><td>') html = main_html.branch(name) main_html.write('</td><td>%.3g</td></tr>\n' % growths[name]) html.write('<h1>Model name: %s</h1>\n' % name) html.write('<h2>Growth Yield: %.3g</h2>\n' % growths[name]) ok.draw_svg(html) ok.model_summary(html) main_html.write('</table>\n') if PPP_reaction: print 'Calculating Phenotypic Phase Plane for phosphoketolase ...' fig, ax = plt.subplots(1, figsize=(6, 6)) plot_multi_PPP(models, PPP_reaction, ax) ax.set_title('Phenotypic Phase Plane') main_html.embed_matplotlib_figure(fig, width=400, height=400)
def main(): main_html = HtmlWriter('res/fba.html') main_html.write('<h1>Flux Balance Analysis</h1>\n') carbon_sources = {} BM_lower_bound = 0.01 ko_reactions = '' ki_reactions = '' PPP_reaction = '' # full model carbon sources: glc, fru, xyl__D, succ, ac, rib__D, pyr ######################################### # Core model for testing glycolysis KOs # ######################################### #model = init_wt_model('core', {'ac' : -10}); ko_reactions = 'PGM'; ki_reactions = 'RED'; #model = init_wt_model('core', {'glc' : -10}); ko_reactions = 'PFK'; ki_reactions = 'RED'; ####################################### # Full model Rubisco optimization KOs # ####################################### #model = init_wt_model('full', {'ac' : -10}); ko_reactions = 'PGM,TRSARr,HPYRRx,HPYRRy'; ki_reactions = 'RED'; #model = init_wt_model('full', {'rib_D' : -10}); ko_reactions = 'TKT1'; ki_reactions = 'RBC,PRK'; PPP_reaction = 'RBC'; model = init_wt_model('full', {'xyl_D' : -10}); ko_reactions = 'RPI'; ki_reactions = 'RBC,PRK'; PPP_reaction = 'RBC'; #model = init_wt_model('full', {'xyl_D' : -10}); ko_reactions = 'G6PDH2r,PFK,F6PA,FRUK,PFK_3,DRPA'; ki_reactions = 'RBC,PRK'; #model = init_wt_model('full', {'fru' : -10, 'rib_D' : -10}); ko_reactions = 'G6PDH2r,PFK,F6PA,FRUK,PFK_3,DRPA,TKT1,TKT2'; ki_reactions = 'PKT'; ############################### # Shikimate generating strain # ############################### #model = init_wt_model('full', {'fru' : -10}); #ko_reactions = 'G6PDH2r,TALA'; ki_reactions = 'EX_3dhsk_c'; PPP_reaction = 'EX_3dhsk_c'; #ko_reactions = 'G6PDH2r,PFK,F6PA,FRUK,PFK_3,DRPA'; ki_reactions = 'PKT'; PPP_reaction = 'PKT'; ########################################################## # Testing no growth when electrons are provided directly # ########################################################## #model = init_wt_model('full', {}); ki_reactions = 'RED'; #ko_reactions = "POR5,MCITL2"; #ko_reactions = "POR5,FTHFLi,GART,RPI"; models = {'WT' : model} if ko_reactions: for k in models.keys(): m = deepcopy(models[k]) knockout_reactions(m, ko_reactions) models[k + ' -%s' % ko_reactions] = m if ki_reactions: for k in models.keys(): m = deepcopy(models[k]) knockin_reactions(m, ki_reactions) models[k + ' +%s' % ki_reactions] = m # Run the optimization for the objective reaction and medium composition # set in the file. main_html.write('<table border="1">\n') main_html.write('<tr><td><b>Model Name</b></td><td><b>Growth Yield</b></td></tr>\n') growths = {} for name, model in sorted(models.iteritems()): print "solving %50s model" % name, ok = OptKnock(model) ok.prepare_FBA_primal() ok.solve() growths[name] = ok.get_objective_value() if growths[name] is None: main_html.write('<tr><td>%s</td><td>infeasible</td></tr>\n' % name) else: print ': f = %.3g' % growths[name] main_html.write('<tr><td>') html = main_html.branch(name) main_html.write('</td><td>%.3g</td></tr>\n' % growths[name]) html.write('<h1>Model name: %s</h1>\n' % name) html.write('<h2>Growth Yield: %.3g</h2>\n' % growths[name]) ok.draw_svg(html) ok.model_summary(html) main_html.write('</table>\n') if PPP_reaction: print 'Calculating Phenotypic Phase Plane for phosphoketolase ...' fig, ax = plt.subplots(1, figsize=(6,6)) plot_multi_PPP(models, PPP_reaction, ax) ax.set_title('Phenotypic Phase Plane') main_html.embed_matplotlib_figure(fig, width=400, height=400)