screening metabolites of multiple models to find specific chemical formulas

[Alon Ginatt]

Hi All,

I have an array of models, which I simulate their growth under different media (minimal media, currently), and I'm looking for an efficient way to go over each model's exchanges (via their medium), in order to find exchanges of metabolites with a specific chemical formula. for example, an exchange of a metabolite composed of P and C with arbitrary values. I figured out I should use the elements attribute of the metabolites objects, but since I'm dealing with exchanges this has turned quite cumbersome. 

Any ideas?

Thank you in advance!

Alon   

[Matthias König]

You could just iterate over the boundary reactions of the models and get the chemical formulas from the respective species.

Something along the line of

```python

for model in models:

    for rb in model.boundaries:

        # only interested in reactions with a single metabolite

        if len(rb.metabolites) == 1:

            metabolite = rb.keys()[0]

            formula = metabolite.formula

```

Nothing tested, just typed in the email ;), so names/syntax could be a bit different. But you should get the idea.

Best M

[Alon Ginatt]

Got it!

Thank you!

(and sorry for the late response)