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Correction of name and prediction of correlations#2

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sulheim merged 4 commits intomasterfrom
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Nov 23, 2020
Merged

Correction of name and prediction of correlations#2
sulheim merged 4 commits intomasterfrom
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@sulheim sulheim commented Nov 23, 2020

This PR provide two improvements:

  1. Calculate correlations and p-values for bigmec- vs literature constructed pathway.
  2. Fixes the name of methoxymalonyl-ACP

This does not affect have any practical effect on predictions based on the reconstructed pathways.

Changed the name of Methoxymalonyl-ACP which was erroneously named methoxymalonyl-CoA.
This included wrong substrate in the synthesis reeaction (coa vs ACP),
but it does not affect any predictions. That is because the coa/acp
substrate is immediately released in the next reaction attaching
methoxymalonyl-CoA to the polyketide chain.
@sulheim sulheim merged commit 8fa1fc6 into master Nov 23, 2020
sulheim added a commit that referenced this pull request Jan 7, 2021
* Fix release tag

* Update README.md

Add release date tag

* Correction of name and prediction of correlations (#2)

* Add zenodo tag
sulheim added a commit that referenced this pull request Jan 12, 2021
* Calculate correlation

* Calculate correlations

* bugfix: name of methoxymalonyl-ACP

Changed the name of Methoxymalonyl-ACP which was erroneously named methoxymalonyl-CoA.
This included wrong substrate in the synthesis reeaction (coa vs ACP),
but it does not affect any predictions. That is because the coa/acp
substrate is immediately released in the next reaction attaching
methoxymalonyl-CoA to the polyketide chain.

* Fix get_mibig

Improve handling of exceptions in get_mibig.py and add lxml package to
requirements.txt

* Update README from master branch (#3)

* Fix release tag

* Update README.md

Add release date tag

* Correction of name and prediction of correlations (#2)

* Add zenodo tag

* Update README.md

* Add BGC type analysis

The jupyter notebook BGC_type_analysis.ipynb analyses the different type
of NRPS/PKS clusters in the MIBiG dataset
sulheim added a commit that referenced this pull request May 4, 2021
* Calculate correlation

* Calculate correlations

* bugfix: name of methoxymalonyl-ACP

Changed the name of Methoxymalonyl-ACP which was erroneously named methoxymalonyl-CoA.
This included wrong substrate in the synthesis reeaction (coa vs ACP),
but it does not affect any predictions. That is because the coa/acp
substrate is immediately released in the next reaction attaching
methoxymalonyl-CoA to the polyketide chain.

* Fix get_mibig

Improve handling of exceptions in get_mibig.py and add lxml package to
requirements.txt

* Update README from master branch (#3)

* Fix release tag

* Update README.md

Add release date tag

* Correction of name and prediction of correlations (#2)

* Add zenodo tag

* Update README.md

* Add BGC type analysis

The jupyter notebook BGC_type_analysis.ipynb analysis the different type
of NRPS/PKS clusters in the MIBiG dataset

* Add E. coli model

* Add most recent version of Sco-GEM

* Add option for adding pathways directly to model

* Update README

Add info about adding constructed pathways directly to a GEM
sulheim added a commit that referenced this pull request Sep 9, 2021
* Calculate correlation

* Calculate correlations

* bugfix: name of methoxymalonyl-ACP

Changed the name of Methoxymalonyl-ACP which was erroneously named methoxymalonyl-CoA.
This included wrong substrate in the synthesis reeaction (coa vs ACP),
but it does not affect any predictions. That is because the coa/acp
substrate is immediately released in the next reaction attaching
methoxymalonyl-CoA to the polyketide chain.

* Fix get_mibig

Improve handling of exceptions in get_mibig.py and add lxml package to
requirements.txt

* Update README from master branch (#3)

* Fix release tag

* Update README.md

Add release date tag

* Correction of name and prediction of correlations (#2)

* Add zenodo tag

* Update README.md

* Add BGC type analysis

The jupyter notebook BGC_type_analysis.ipynb analysis the different type
of NRPS/PKS clusters in the MIBiG dataset

* Add E. coli model

* Add most recent version of Sco-GEM

* Add option for adding pathways directly to model

* Update README

Add info about adding constructed pathways directly to a GEM

* Update README.md

* Update README.md
sulheim added a commit that referenced this pull request Jan 8, 2023
Add a bunch of update to README and a few bugfixes that should have been added previously

* Calculate correlation

* Calculate correlations

* bugfix: name of methoxymalonyl-ACP

Changed the name of Methoxymalonyl-ACP which was erroneously named methoxymalonyl-CoA.
This included wrong substrate in the synthesis reeaction (coa vs ACP),
but it does not affect any predictions. That is because the coa/acp
substrate is immediately released in the next reaction attaching
methoxymalonyl-CoA to the polyketide chain.

* Fix get_mibig

Improve handling of exceptions in get_mibig.py and add lxml package to
requirements.txt

* Update README from master branch (#3)

* Fix release tag

* Update README.md

Add release date tag

* Correction of name and prediction of correlations (#2)

* Add zenodo tag

* Update README.md

* Add BGC type analysis

The jupyter notebook BGC_type_analysis.ipynb analysis the different type
of NRPS/PKS clusters in the MIBiG dataset

* Add E. coli model

* Add most recent version of Sco-GEM

* Add option for adding pathways directly to model

* Update README

Add info about adding constructed pathways directly to a GEM

* Update README.md

* Update README.md
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