def make_sbgn(pysb_model, model_id):
pa = PysbAssembler()
pa.model = pysb_model
for m in pysb_model.monomers:
pysb_assembler.set_extended_initial_condition(pysb_model, m, 0)
try:
sbgn_str = pa.export_model('sbgn')
except BngInterfaceError:
logger.error('Reaction network could not be generated for SBGN.')
return None
return sbgn_str
def make_sbgn(pysb_model, model_id):
pa = PysbAssembler()
pa.model = pysb_model
for m in pysb_model.monomers:
pysb_assembler.set_extended_initial_condition(pysb_model, m, 0)
try:
sbgn_str = pa.export_model('sbgn')
except BngInterfaceError:
logger.error('Reaction network could not be generated for SBGN.')
return None
return sbgn_str
def assemble_model(model_name, statements):
# Pysb assembly
pa = PysbAssembler()
pa.add_statements(statements)
ts = time.time()
model = pa.make_model()
te = time.time()
print('Assembly took %.2fs' % (te - ts))
model.name = model_name
add_observable(model)
set_parameters(model)
# Save and return model
pa.model = model
pa.save_model('%s.py' % model_name)
return model
def assemble_model(model_name, statements):
# Pysb assembly
pa = PysbAssembler()
pa.add_statements(statements)
ts = time.time()
model = pa.make_model()
te = time.time()
print('Assembly took %.2fs' % (te-ts))
model.name = model_name
add_observable(model)
set_parameters(model)
# Save and return model
pa.model = model
pa.save_model('%s.py' % model_name)
return model
def contextualize_model(model, cell_line, genes):
"""Contextualize model at the level of a PySB model."""
# Here we just make a PysbAssembler to be able
# to apply set_context on the model being passed in
model.name = cell_line
cell_line_ccle = cell_line + '_SKIN'
pa = PysbAssembler()
pa.model = model
pa.set_context(cell_line_ccle)
# Set initial conditions for missense mutations
variants = read_ccle_variants(genes)
mutations = variants['missense'][cell_line_ccle]
for gene, mut_list in mutations.items():
for fres, loc, tres in mut_list:
site_name = fres + loc
for ic in model.initial_conditions:
if ic[0].monomer_patterns[0].monomer.name == gene:
sc = ic[0].monomer_patterns[0].site_conditions
if site_name in sc:
sc[site_name] = tres
return pa.model
def make_contact_map(pysb_model):
"""Return a Kappa contact map."""
pa = PysbAssembler()
pa.model = pysb_model
cm = pa.export_model('kappa_cm')
return cm
def make_influence_map(pysb_model):
"""Return a Kappa influence map."""
pa = PysbAssembler()
pa.model = pysb_model
im = pa.export_model('kappa_im')
return im
def assemble_model(model_id, reread=False):
model_name = 'model%d' % model_id
# If model has already been read, just process the EKB XML
if os.path.exists(model_name + '.xml') and not reread:
tp = trips.process_xml(open(model_name + '.xml').read())
else:
# Start with the basic model
model_txt = open('model1.txt').read()
# Apply patches one by one to get to the current model text
for j in range(1, model_id):
patch_txt = open('model%d_from%d.txt' % (j+1, j)).read()
model_txt = apply_patch(model_txt, patch_txt)
print('Reading model %d text:' % model_id)
print(model_txt)
# Process model text and save result EKB XML
tp = trips.process_text(model_txt, model_name + '.xml')
print('Assembling statements:')
for i, st in enumerate(tp.statements):
print('%d: %s' % (i, st))
# Assemble the PySB model
pa = PysbAssembler()
pa.add_statements(tp.statements)
model = pa.make_model(policies='two_step')
# Set initial conditions
erk = model.monomers['ERK']
obs = Observable('ERK_p', erk(phospho='p'))
model.add_component(obs)
vem = model.monomers['VEMURAFENIB']
obs = Observable('Vem_free', vem(map3k=None))
model.add_component(obs)
ras = model.monomers['RAS']
obs = Observable('RAS_active', ras(gtp=ANY))
model.add_component(obs)
braf = model.monomers['BRAF']
obs = Observable('BRAF_active', braf(vemurafenib=None))
model.add_component(obs)
model.parameters['BRAF_0'].value = 0
egf = model.monomers['EGF']
obs = Observable('EGF_free', egf(erbb=None))
model.add_component(obs)
# Add mutated form of BRAF as initial condition
sites_dict = {}
for site in braf.sites:
if site in braf.site_states:
sites_dict[site] = braf.site_states[site][0]
else:
sites_dict[site] = None
sites_dict['V600'] = 'E'
model.add_component(Parameter('BRAF_mut_0', 1e5))
model.initial(braf(**sites_dict), model.parameters['BRAF_mut_0'])
# Set up model parameters
model.parameters['kf_ee_bind_1'].value = 1
model.parameters['kr_ee_bind_1'].value = 0.1
model.parameters['kf_ee_bind_2'].value = 1
model.parameters['kr_ee_bind_2'].value = 0.1
model.parameters['kf_eg_bind_1'].value = 1
model.parameters['kr_eg_bind_1'].value = 0.1
model.parameters['kf_gs_bind_1'].value = 1
model.parameters['kr_gs_bind_1'].value = 0.1
model.parameters['kf_sr_bind_1'].value = 1
model.parameters['kr_sr_bind_1'].value = 50
model.parameters['kf_rg_bind_1'].value = 50
model.parameters['kr_rg_bind_1'].value = 0.5
model.parameters['kf_rb_bind_1'].value = 1
model.parameters['kr_rb_bind_1'].value = 0.5
model.parameters['kf_vb_bind_1'].value = 10
model.parameters['kr_vb_bind_1'].value = 1
model.parameters['kf_bm_bind_1'].value = 1
model.parameters['kr_bm_bind_1'].value = 0.1
model.parameters['kc_bm_phosphorylation_1'].value = 3
model.parameters['kf_pm_bind_1'].value = 1
model.parameters['kr_pm_bind_1'].value = 0.001
model.parameters['kc_pm_dephosphorylation_1'].value = 10
model.parameters['kf_me_bind_1'].value = 1
model.parameters['kr_me_bind_1'].value = 0.1
model.parameters['kc_me_phosphorylation_1'].value = 10
model.parameters['kf_de_bind_1'].value = 1
model.parameters['kr_de_bind_1'].value = 0.001
model.parameters['kc_de_dephosphorylation_1'].value = 10
model.parameters['VEMURAFENIB_0'].value = 0
model.parameters['EGF_0'].value = 1e3
model.parameters['EGFR_0'].value = 1e5
model.parameters['SOS_0'].value = 1e3
model.parameters['GRB2_0'].value = 1e5
model.parameters['RAS_0'].value = 2e5
model.parameters['GTP_0'].value = 1e7
model.parameters['MEK_0'].value = 1e5
model.parameters['ERK_0'].value = 1e5
model.parameters['DUSP6_0'].value = 1e3
model.parameters['PPP2CA_0'].value = 1e5
if model_id >= 2:
model.parameters['Phosphatase_0'].value = 1e2
model.parameters['kf_es_bind_1'].value = 1e-05
model.parameters['kr_es_bind_1'].value = 1e-04
model.parameters['kc_es_phosphorylation_1'].value = 1
model.parameters['kf_ps_bind_1'].value = 1
model.parameters['kr_ps_bind_1'].value = 0.1
model.parameters['kc_ps_dephosphorylation_1'].value = 1e-04
if model_id >= 3:
model.parameters['kf_bb_bind_1'].value = 10
model.parameters['kr_bb_bind_1'].value = 1
model.parameters['kf_vb_bind_2'].value = 1e-04
pa.model = model
pa.save_model('model%d.py' % model_id)
return model
