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Update cmpb content in docs #5 #11
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GwennyGit committed Jul 11, 2024
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63 changes: 51 additions & 12 deletions docs/source/cmpb/about-pipeline.rst
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Expand Up @@ -2,18 +2,15 @@ About ``CMPB``
==============

The CarveMe + ModelPolisher based (CMPB) pipeline curates a model using refineGEMs and ModelPolisher.
The starting point is either the input files for CarveMe (future update) or an already built model. If the model is/was
built with CarveMe a correction is performed. After that the model is gap filled. The gap fill step can be either done
with a manually created file or automatically. Afterwards ModelPolisher is used to enhance the annotation content
(future update). Further annotation enhancement is done by adding Pathways as Groups from KEGG and using the SBOannotator
via the refineGEMs connection to get more specific SBO term annotations. Afterwards the model is cleaned up with
MassChargeCuration and, optionally, with BOFdat. Both tools are accessed via refineGEMs. A further option for the clean
up is the removal of duplicates. There are optional steps to analyse the model with FROG (future update) or MEMOTE. The
default analysis steps include model statistics, growth analysis and auxotrophy tests. For each step the model version and,
optionally, the according MEMOTE report can be saved.

Overview of the CMPB Pipeline
-----------------------------
The starting point is either the input files for CarveMe (future update) or an already built model.

This pipeline aims at minimising the user's workload by concatenating steps that could be done individually with the
integrated tools.

.. _cmpb-overview:

Overview of the ``CMPB`` Pipeline
---------------------------------

The following image shows an overrview of the steps of the pipeline:

Expand All @@ -23,3 +20,45 @@ The following image shows an overrview of the steps of the pipeline:
:alt: Workflow from CaveMe to close-to-final model

Workflow from CaveMe to close-to-final model

The following steps are executed in the workflow:

.. hint::
All steps can also be performed individually.

Many of the steps of the pipeline can be fine tuned and turned off/on.
Check the :doc:`configuration file <cmpb-config>` for a full list of all parameters.

- Step 0: Possible inputs

- Model (e.g. created with CarveMe)
- Data to create a model with CarveMe (future update)

- Step 1.A: If the model is/was built with CarveMe a correction is performed as CarveMe adds valuable information for example in the notes and not the corresponding fields of the SBML document.
- Step 1.B: The model is gap filled. The gap fill step can be either done with a manually created file or automatically.
- Step 2: ModelPolisher is used to enhance the annotation content (future update).
- Step 3: Annotations

- Adding pathways as Groups from KEGG
- Using SBOannotator to get more specific SBO term annotations

- Step 4: Model cleanup

- Using MassChargeCuration
- Optionally: Using BOFdat
- Optionally: Removing duplicates

- Step 5: Model analyses

- Model statistics
- Analysing growth
- Testing for amino acid auxotrophies
- Optionally: Analysing with FROG (future update)
- Optionally: Analysing with MEMOTE

| For each step the model version and, optionally, the according MEMOTE report can be saved.
| All tools are accessed via refineGEMs unless stated otherwise. Steps or tools marked as future update will be added soon.
.. note::

All accessible functions are listed in the :ref:`Contents of SPECIMEN` section.
4 changes: 2 additions & 2 deletions docs/source/cmpb/run-pipeline.rst
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Expand Up @@ -5,7 +5,7 @@ This page explains how to run the complete ``CMPB`` (CarveMe + ModelPolisher bas
and how to collect the neccessary data.

For more information about the steps of the pipeline,
see :ref:`Overview of the CMPB Pipeline`.
see :ref:`cmpb-overview`.

``CMPB``: Quickstart
--------------------
Expand All @@ -16,7 +16,7 @@ see :ref:`Overview of the CMPB Pipeline`.
The CarveMe connection will be added in a future update.

The pipeline can either be run directly from the command line or its functions can be called from inside a Python script.
The input in both cases is a `configuration file <cmpb-config.html>`__ that contains all information needed (data file paths and parameters) to run it.
The input in both cases is a :doc:`configuration file <cmpb-config>` that contains all information needed (data file paths and parameters) to run it.

The configuration can be downloaded using the command line:

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