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https://github.com/nylander/parse_mrbayes_ancestral_states

Create FASTA file for ancestral sequence reported in MrBayes v.3
https://github.com/nylander/parse_mrbayes_ancestral_states

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Create FASTA file for ancestral sequence reported in MrBayes v.3

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# Parse MrBayes Ancestral States

- Last modified: tor okt 06, 2022 05:10
- Johan.Nylander\@{nrm|nbis}.se

The software MrBayes have the capacity of inferring ancestral character states.
The results are summarized in the `.pstat` file. This script parses the MrBayes
output and saves the actual states or sequence, with the highest posterior
probability, as a fasta-formatted file.

## Example 1: Ancestral state estimation for morphological characters

### Step 1. Set up MrBayes to do the ancestral reconstructions

Here is an example [dataset](data/mix.nex) with combined DNA and morphological
data. When reading the data, the morphological data are automatically assigned
to a separate partition (number 2). We will define one specific node where
ancestral states should be estimated, then tell MrBayes to report the ancestral
states for all characters in partition 2. The `Lset coding=variable` command is
for accounting for coding bias in the morphological data (see the MrBayes
manual for explanation). Also note that with your data, you might want to
change default settings on substitution models, MCMC, etc.

Exectute the following commands in MrBayes:

#NEXUS
Begin MrBayes;
Set autoclose=yes nowarn=yes;
Execute mix.nex;
Taxset MyTaxset = Andricus_curvator Andricus_kollari;
Constraint MyConstraint = MyTaxset;
Prset topologypr = constraints(MyConstraint);
Lset applyto=(2) coding=variable;
Report applyto=(2) ancstates=yes;
Mcmc nruns=1 nchains=1 ngen=50000 checkpoint=no;
Sump;
Quit;
End;

### Step 2. Parse the output from MrBayes

Run the `parsemb.pl` script with the `.pstat` file as input. The resulting
sequence is written to standard out, while the details about state
probabilities is printed on standard error:

$ ./parsemb.pl data/mix.nex.pstat
# MyConstraint
485 0=6.361512e-01 2=2.980698e-01 1=6.577902e-02
486 1=9.579908e-01 0=4.200920e-02
487 2=9.909044e-01 0=8.459564e-03 1=6.360484e-04
488 1=9.693519e-01 0=2.806066e-02 2=2.587463e-03
489 2=9.919600e-01 0=7.198033e-03 1=8.419819e-04
490 0=5.094045e-01 2=4.638707e-01 1=2.672478e-02
>MyConstraint Ancestral states at node MyConstraint
012120

Alternatively, if you wish to have the table (tab separated) and fasta in
separate files:

$ ./parsemb.pl data/mix.nex.pstat > ancestral.fas 2> ancestral.txt

## Example 2: Ancestral sequence estimation

Here we will report the ancestral sequence for a specific node in the tree.
We will use an example [file](data/dna.nex) with DNA data.

### MrBayes commands:

#NEXUS
Begin MrBayes;
Set autoclose=yes nowarn=yes;
Execute dna.nex;
Taxset MyTaxset = Andricus_curvator Andricus_kollari;
Constraint MyConstraint = MyTaxset;
Prset topologypr = constraints(MyConstraint);
Report ancstates=yes;
Mcmc nruns=1 nchains=1 ngen=50000 checkpoint=no;
Sump;
Quit;
End;

### Run the script:

Here we redirect the table to `/dev/null`, and fold the long sequence using the
unix command `fold`:

$ ./parsemb.pl data/dna.nex.pstat 2> /dev/null | fold
>MyConstraint Ancestral states at node MyConstraint
TCTTGGTCCATTCTTGTGTGAGATATACGCTTTACTTGGTTCTCTATTTGGATGTGGCTCCATTTGGACAATGTGTATGA
TTGCTTTTGATAGGTACAATGTAATAGTGAAAGGTTTGGCTGGGAAGCCCTTAACAATCACCGGTGCAATTATACGCATA
ATTGGCCTTTGGGTCTGGGCCATTATTTGGACTATTGCGCCAATGTTTGGATGGAATCGGTTTTATGTACCTGAAGGTAA
CATGACAGCTTGCGGAACTGATTATTTAAGTAAAGACTGGTTCTCGAGGTCTTACATCCTTGTATACAGTATCTTCGTAT
ACTATATGCCGCTTTTCCTTATCATATACAGTTACTATTTTATCATCTCAGCTGTATCTGCTCACGAAAAAGCAATGCGC
GAACAGGCCAAAAAGATGAACGTAGCTTCTCTACGTTCATCTGACAATGCAAACACAAGTGCTGAGCATAAACTCGCAAA
GGTA

**Alternatively**, we may filter the ancestral sequence and say, for example, that
we should only report the states where the posterior probability is above 0.99.
The other states are given as an "unknown" character (default is "`?`", here we
will use `N`):

$ ./parsemb.pl --cutoff 0.99 --unknown N data/dna.nex.pstat 2> /dev/null | fold
>MyConstraint Ancestral states at node MyConstraint
NNNNGGTCCATTCTTGTGTGAGATATACGCTTTACTTGGTTCTCTATTTGGATGTGGCTCCATTTGGACAATGTGTATGA
TTGCTTTTGATAGGTACAATGTAATAGTGAAAGGTTTGGCTGGGAAGCCCTTAACAATCACCGGTGCAATTATACGCATA
ATTGGCCTTTGGGTCTGGGCCATTATTTGGACTATTGCGCCAATGTTTGGATGGAATCGGNNNTATGTACCTGAAGGTAA
CATGACAGCTTGCGGAACTGATTATTTAAGTAAAGACTGGTTCTCGAGGTCTTACATCCTTGTATACAGTATCTTCGTAT
ACTATATGCCGCTTTTCCTTATCATATACAGTTACTATTTTATCATCTCAGCTGTATCTGCTCACGAAAAAGCAATGCGC
GAACAGGCCAAAAAGATGAACGTAGCTTCTCTACGTTCATCTGACAATGCAAACACAAGTGCTGAGCATAAACTCGCAAA
GGTA

## Thanks to

Thanks to Dr. Robin Beck, Univ. Salford, for feature suggestions.

## Licence and copyright

Copyright (c) 2018-2022 Johan Nylander

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
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SOFTWARE.