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The basics

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Keiron O'Shea edited this page Sep 5, 2017 · 2 revisions

Here you will find a quick introduction on how to use dimedbpy, but please make sure you've installed it before continuing.

Getting a Metabolite

First of all, you need to import dimedbpy:

import dimedbpy

Now let's try and find a compound with the InChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N:

metabolites = dimedb.get_metabolites("RYYVLZVUVIJVGH-UHFFFAOYSA-N")

This should return a list, containing Metabolite objects for all metabolites that have been retrieved. We can interface with the object to find the information we're interested in:

metabolites[0].name

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