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PyFBA

A python implementation of flux balance analysis to model microbial metabolism. Read more ...

About PyFBA

PyFBA is a Python flux-balance-analysis package that allows you to build models from genomes, gapfill models, and run flux-balance-analysis on that model. The aim of PyFBA is to provide an extensible, python-based platform for FBA work.

PyFBA is being developed by Daniel Cuevas, Taylor O'Connell, and Rob Edwards in Rob's bioinformatics group initially at San Diego State University and now at Flinders University. Amazing help was also provided by the developers of the ModelSEED, in particular Janaka Edirisinghe, Chris Henry, Ross Overbeek and others at Argonne National Labs.

You can read more about PyFBA on our github.io pages.

Installing PyFBA

PyFBA is available in bioconda and we recommend installing it that way. It's what we use!

conda create -n pyfba -c bioconda pyfba
conda activate pyfba
pyfba -v
pyfba help

There are other options described in the installation documents, but just use conda!

Getting Started with PyFBA

Once you have installed PyFBA, you will most likely want to build a model from a genome, gap fill that model, and test it for growth on different media. We have detailed instructions that walk you through the step-by-step procedures that you need to use to run flux balance analysis on your own genome.

Citing PyFBA

Please use the command:

pyfba citations

to get the citations for PyFBA. They are available in plain text and bibtex format, please let us know if you would like other formats!

Copyright and License

PyFBA is copyright Daniel Cuevas, Taylor O'Connell, and Rob Edwards, and is released under the MIT license.

pyfba's People

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pyfba's Issues

New ModelSEEDDatabase git repository changes

The ModelSEEDDatabase has been completely refactored and cleaned up but is now incompatible with PyFBA parsing scripts.

One of the latest versions that is currently compatible with PyFBA is c4ba1c6 (link). Checking out that version will work for now until parsing scripts are updated.

Role corrections

We need to implement a mechanism to correct role mapping from RAST to the biochemistry tables.

This file role_corrections.txt has a two column table with RAST role and Biochemistry role. When we are parsing assigned functions we just need to add these to the mapping.

Failed to update to Python3

Hi Rob,

I have successfully installed PyFBA using python2. However, I failed to update to python3 after following the instructions (recompile pyglpk). The output is "SyntaxError: Missing parentheses in call to 'print'.". Would you please share with me more details about how to update to python3 from python2?

Thanks,

Chen

Output models

We need to output the models in SBML and/or JSON format

PyFBA with python3

Dear PyFBA developers,

Does PyFBA work with Python 3? When I try to install it from PyPI:

pip install pyfba

or clone from github and run tests

git clone https://github.com/linsalrob/PyFBA.git
cd PyFBA
python3 setup.py test

I get the same following error:

Traceback (most recent call last):
  File "setup.py", line 7, in <module>
    import PyFBA
  File "..../PyFBA/PyFBA/__init__.py", line 3, in <module>
    import fba
ImportError: No module named 'fba'

Thanks,
Anna

create_stoichiometric_matrix.py problem

I recently installed pyfba v 2.62 (using python3) and I was running through the "How to create and run a gap-filled FBA from PATRIC" iPython notebook. I kept receiving an warning messages on the runfba step (In [14] in the notebook) about "set" and "modeldata" objects, and the command didn't seem to complete properly.

After digging into the source code, it looks like the create_stoichiometric_matrix.py code may have an error on line 52 where it calls "if not set.get_compound_by_name(c.name):". I changed this to "if not modeldata.get_compound_by_name(c.name):" and then changed code for running the fba to include lines for creating a modeldata object from compounds and reactions and then using that object in the run_fba command (see below).

#status, value, growth = PyFBA.fba.run_fba(compounds, reactions, reactions_to_run, media, biomass_equation)
modeldata = PyFBA.model_seed.ModelData(compounds=compounds, reactions=reactions)
modeldata.rebuild_indices()
status, value, growth = PyFBA.fba.run_fba(modeldata, reactions_to_run, media, biomass_equation)

About model_seed.py

Hi, I am trying to run the model_seed.py and it is depended to ComplexRoles.tsv and TemplateReactions.tsv files. Yet I could not figure out how I will dump/extract these files. I have tried to run the DumpSOLRTables_Master.pl which is in ModelSEEDDatabase via Cygwin64 for this purpose, yet I am getting some errors unfortunately. I have mentioned about these errors in the link below:

https://stackoverflow.com/questions/65801561/perl-error-global-symbol-requires-explicit-package-name

How can I obtain these 2 files exactly, I wonder? Or what are the templates of these files, so maybe I can create these files manually by using other existed files? If you can help me, I would be really glad. Thank you in advance.
Sincerely,

Error finding ModelSEEDDatabase variable

I have followed the instructions in creating the ModelSEEDDatabase variable as shown below;

thomas@Kiwi:~/PyFBA$ echo $ModelSEEDDatabase
/home/thomas/PyFBA/ModelSEEDDatabase

However when I test the setup.py code the following occurs;

thomas@Kiwi:~/PyFBA$ python setup.py test
Traceback (most recent call last):
File "setup.py", line 7, in
import PyFBA
File "/home/thomas/PyFBA/PyFBA/init.py", line 5, in
import PyFBA.gapfill
File "/home/thomas/PyFBA/PyFBA/gapfill/init.py", line 13, in
from .ecnumbers import suggest_reactions_using_ec
File "/home/thomas/PyFBA/PyFBA/gapfill/ecnumbers.py", line 5, in
MODELSEED_DIR = os.environ['ModelSEEDDatabase']
File "/usr/lib/python2.7/UserDict.py", line 23, in getitem
raise KeyError(key)
KeyError: 'ModelSEEDDatabase'

Any idea how to solve this?

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