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https://github.com/jmenglund/predsim

Simulate predictive datasets from MrBayes' output
https://github.com/jmenglund/predsim

bayesian dendropy dna-sequences molecular-evolution mrbayes phylogenetics posterior-predictive seq-gen simulation

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Simulate predictive datasets from MrBayes' output

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predsim
=======

|Build-Status| |Coverage-Status| |PyPI-Status| |License| |DOI-URI|

**predsim** is a simple command-line tool for simulating predictive
datasets from `MrBayes' `_ output files.
Datasets can be simulated under the GTR+G+I substitution model or any nested
variant available in MrBayes (JC69, HKY85 etc.). The code is contained
within a single module that can be imported using Python's import mechanism.
The tool uses `Seq-Gen `_ for
simulating the DNA-sequences and builds on the third-party library
`DendroPy `_.

The code has been tested with Python 3.3 and 3.6.

Source repository: ``_

--------------------------------

.. contents:: Table of contents
:local:
:backlinks: none

Prerequisites
-------------

* Python 3.3+
* The Python library `DendroPy `_ (version 4.0 or higher)
* The command-line tool `Seq-Gen `_

An easy way to get Python working on your computer is to install the free
`Anaconda distribution `_.

Installation
------------

For most users, the easiest way is probably to install the latest version
hosted on `PyPI `_:

.. code-block::

$ pip install predsim

The project is hosted at ``_ and
can also be installed using git:

.. code-block::

$ git clone https://github.com/jmenglund/predsim.git
$ cd predsim
$ python setup.py install

You may consider installing predsim and its required Python packages
within a virtual environment in order to avoid cluttering your system's
Python path.

Usage
-----

.. code-block::

$ predsim --help
usage: predsim [-h] [-V] [-l N] [-f #A #C #G #T] [-g N] [-s N] [-n N]
[-o {nexus,phylip}] [-p FILE] [--seeds-file FILE]
[--commands-file FILE] [--trees-file FILE]
pfile tfile

A command-line utility that reads posterior output of MrBayes and simulates
predictive datasets with Seq-Gen.

positional arguments:
pfile path to a MrBayes p-file
tfile path to a MrBayes t-file

optional arguments:
-h, --help show this help message and exit
-V, --version show program's version number and exit
-l N, --length N sequence lenght (default: 1000)
-f #A #C #G #T, --freqs #A #C #G #T
base frequences (overrides any base frequences in
MrBayes' output)
-g N, --gamma-cats N number of gamma rate categories (default: continuous)
-s N, --skip N number of records (trees) to skip at the beginning of
the sample (default: 0)
-n N, --num-records N
number of records (trees) to use in the simulation
-o {nexus,phylip}, --out-format {nexus,phylip}
output format (default: "nexus")
-p FILE, --seqgen-path FILE
path to a Seq-Gen executable (default: "seq-gen")
--seeds-file FILE path to file with seed numbers (e.g. for debugging
purposes)
--commands-file FILE path to output file with commands used by Seq-Gen
--trees-file FILE path to output file with trees used by Seq-Gen

* If base frequences are missing from MrBayes' output, these must be set manually
with the ``-f`` (or ``--freqs``) flag.
* It is recommended that you use the ``--commands-file`` and ``--trees-file``
flags to check the input given to Seq-Gen.

Running the tests
-----------------

Testing is carried out with `pytest `_:

.. code-block::

$ pytest test_predsim.py

Test coverage can be calculated with `Coverage.py
`_ using the following commands:

.. code-block::

$ coverage run -m pytest test_predsim.py
$ coverage report -m predsim.py

The code follow style conventions in `PEP 8
`_, which can be checked
with `pycodestyle `_:

.. code-block::

$ pycodestyle predsim.py test_predsim.py setup.py

License
-------

predsim is distributed under the
`MIT license `_.

Citing
------

If you use results produced with this package in a scientific
publication, please just mention the package name in the text and
cite the Zenodo DOI of this project:

|DOI-URI|

You can select your preferred citation style in the "Cite as" section
on the Zenodo page.

predsim relies on other software that also should be cited. Below are
suggested citations for Seq-Gen and DendroPy:

* Rambaut A, Grassly NC. 1997. Seq-Gen: an application for the Monte
Carlo simulation of DNA sequence evolution along phylogenetic trees.
Comput. Appl. Biosci. 13:235–238. DOI:
`10.1093/bioinformatics/13.3.235 `_

* Sukumaran J, Holder MT. 2010. DendroPy: a Python library for
phylogenetic computing. Bioinformatics 26:1569–1571. DOI:
`10.1093/bioinformatics/btq228 `_

Author
------

Markus Englund, `orcid.org/0000-0003-1688-7112 `_

.. |Build-Status| image:: https://travis-ci.org/jmenglund/predsim.svg?branch=master
:target: https://travis-ci.org/jmenglund/predsim
.. |Coverage-Status| image:: https://codecov.io/gh/jmenglund/predsim/branch/master/graph/badge.svg
:target: https://codecov.io/gh/jmenglund/predsim
.. |PyPI-Status| image:: https://img.shields.io/pypi/v/predsim.svg
:target: https://pypi.python.org/pypi/predsim
.. |License| image:: https://img.shields.io/badge/license-MIT-blue.svg
:target: https://raw.githubusercontent.com/jmenglund/predsim/master/LICENSE.txt
.. |DOI-URI| image:: https://zenodo.org/badge/23107/jmenglund/predsim.svg
:target: https://zenodo.org/badge/latestdoi/23107/jmenglund/predsim