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docs/_build/html/_sources/docker.rst.txt
Using PRESCOTT via Docker Using ESCOTT via Docker
======================== ========================
Requirements Requirements
...@@ -60,7 +60,7 @@ you may not need ‘sudo’ word before the docker command at all. ...@@ -60,7 +60,7 @@ you may not need ‘sudo’ word before the docker command at all.
.. code:: bash .. code:: bash
sudo docker run -ti --rm --mount type=bind,source=$PWD,target=/home/tekpinar/research/myexample \ sudo docker run -ti --rm --mount type=bind,source=$PWD,target=/home/tekpinar/research/myexample \
tekpinar/esgemme-docker:v1.4.0 tekpinar/prescott-docker:v1.5.0
You are in the container (your virtual operating system) now. You You are in the container (your virtual operating system) now. You
created a folder called myexample in your container with the previous created a folder called myexample in your container with the previous
...@@ -81,7 +81,7 @@ In this step, we will use only evolutionary information from an MSA file: ...@@ -81,7 +81,7 @@ In this step, we will use only evolutionary information from an MSA file:
.. code:: bash .. code:: bash
esgemme aliBLAT.fasta -f aliBLAT.fasta escott aliBLAT.fasta -f aliBLAT.fasta
After a few minutes of calculation, you must see at least two files named After a few minutes of calculation, you must see at least two files named
BLAT_normPred_evolCombi.txt and BLAT_normPred_evolCombi.png. You have BLAT_normPred_evolCombi.txt and BLAT_normPred_evolCombi.png. You have
...@@ -93,7 +93,7 @@ evolutionary information: ...@@ -93,7 +93,7 @@ evolutionary information:
.. code:: bash .. code:: bash
esgemme aliBLAT.fasta -f aliBLAT.fasta --pdbfile blat-af2.pdb escott aliBLAT.fasta -f aliBLAT.fasta --pdbfile blat-af2.pdb
Predicting the effect of a subset of single point mutations Predicting the effect of a subset of single point mutations
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
...@@ -111,13 +111,13 @@ structural information. First, let's do it without structural information: ...@@ -111,13 +111,13 @@ structural information. First, let's do it without structural information:
.. code:: bash .. code:: bash
esgemme aliBLAT.fasta -f aliBLAT.fasta -m Stiffler_2015_BLAT_ECOLX.mut escott aliBLAT.fasta -f aliBLAT.fasta -m Stiffler_2015_BLAT_ECOLX.mut
You can include structural information in the following way: You can include structural information in the following way:
.. code:: bash .. code:: bash
esgemme aliBLAT.fasta -f aliBLAT.fasta --pdbfile blat-af2.pdb \ escott aliBLAT.fasta -f aliBLAT.fasta --pdbfile blat-af2.pdb \
-m Stiffler_2015_BLAT_ECOLX.mut -m Stiffler_2015_BLAT_ECOLX.mut
You will have BLAT_normPred_evolCombi.txt file in your folder. However, the output You will have BLAT_normPred_evolCombi.txt file in your folder. However, the output
...@@ -127,7 +127,7 @@ In addition, you won't have a png file like in the previous case. ...@@ -127,7 +127,7 @@ In addition, you won't have a png file like in the previous case.
Multiple point mutation calculations Multiple point mutation calculations
------------------------------------ ------------------------------------
Sometimes, we need to see effects of double or triple mutations. PRESCOTT can Sometimes, we need to see effects of double or triple mutations. ESCOTT can
perform calculations if you provide a mut file. In this case, the mut file must perform calculations if you provide a mut file. In this case, the mut file must
have the following format: have the following format:
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<p class="caption" role="heading"><span class="caption-text">Contents:</span></p> <p class="caption" role="heading"><span class="caption-text">Contents:</span></p>
<ul class="current"> <ul class="current">
<li class="toctree-l1 current"><a class="current reference internal" href="#">Using PRESCOTT via Docker</a><ul> <li class="toctree-l1 current"><a class="current reference internal" href="#">Using ESCOTT via Docker</a><ul>
<li class="toctree-l2"><a class="reference internal" href="#requirements">Requirements</a></li> <li class="toctree-l2"><a class="reference internal" href="#requirements">Requirements</a></li>
<li class="toctree-l2"><a class="reference internal" href="#getting-the-example-input-data">Getting the example input data</a></li> <li class="toctree-l2"><a class="reference internal" href="#getting-the-example-input-data">Getting the example input data</a></li>
<li class="toctree-l2"><a class="reference internal" href="#single-point-mutation-calculations">Single point mutation calculations</a><ul> <li class="toctree-l2"><a class="reference internal" href="#single-point-mutation-calculations">Single point mutation calculations</a><ul>
...@@ -75,7 +75,7 @@ ...@@ -75,7 +75,7 @@
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<li class="breadcrumb-item active">Using PRESCOTT via Docker</li> <li class="breadcrumb-item active">Using ESCOTT via Docker</li>
<li class="wy-breadcrumbs-aside"> <li class="wy-breadcrumbs-aside">
<a href="_sources/docker.rst.txt" rel="nofollow"> View page source</a> <a href="_sources/docker.rst.txt" rel="nofollow"> View page source</a>
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...@@ -85,8 +85,8 @@ ...@@ -85,8 +85,8 @@
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<div itemprop="articleBody"> <div itemprop="articleBody">
<section id="using-prescott-via-docker"> <section id="using-escott-via-docker">
<h1>Using PRESCOTT via Docker<a class="headerlink" href="#using-prescott-via-docker" title="Permalink to this heading"></a></h1> <h1>Using ESCOTT via Docker<a class="headerlink" href="#using-escott-via-docker" title="Permalink to this heading"></a></h1>
<section id="requirements"> <section id="requirements">
<h2>Requirements<a class="headerlink" href="#requirements" title="Permalink to this heading"></a></h2> <h2>Requirements<a class="headerlink" href="#requirements" title="Permalink to this heading"></a></h2>
<p>You need to have docker installed on your machine. You can consult the <p>You need to have docker installed on your machine. You can consult the
...@@ -128,7 +128,7 @@ file in fasta format:</p> ...@@ -128,7 +128,7 @@ file in fasta format:</p>
<p>If it shows you a list of options, you are on a good track. On MacOS, <p>If it shows you a list of options, you are on a good track. On MacOS,
you may not need ‘sudo’ word before the docker command at all.</p> you may not need ‘sudo’ word before the docker command at all.</p>
<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>sudo docker run -ti --rm --mount <span class="nv">type</span><span class="o">=</span>bind,source<span class="o">=</span><span class="nv">$PWD</span>,target<span class="o">=</span>/home/tekpinar/research/myexample <span class="se">\</span> <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>sudo docker run -ti --rm --mount <span class="nv">type</span><span class="o">=</span>bind,source<span class="o">=</span><span class="nv">$PWD</span>,target<span class="o">=</span>/home/tekpinar/research/myexample <span class="se">\</span>
tekpinar/esgemme-docker:v1.4.0 tekpinar/prescott-docker:v1.5.0
</pre></div> </pre></div>
</div> </div>
<p>You are in the container (your virtual operating system) now. You <p>You are in the container (your virtual operating system) now. You
...@@ -144,7 +144,7 @@ docker container are pointing to the same place.</p> ...@@ -144,7 +144,7 @@ docker container are pointing to the same place.</p>
<section id="obtaining-the-entire-single-point-mutation-landscape"> <section id="obtaining-the-entire-single-point-mutation-landscape">
<h3>Obtaining the entire single point mutation landscape<a class="headerlink" href="#obtaining-the-entire-single-point-mutation-landscape" title="Permalink to this heading"></a></h3> <h3>Obtaining the entire single point mutation landscape<a class="headerlink" href="#obtaining-the-entire-single-point-mutation-landscape" title="Permalink to this heading"></a></h3>
<p>In this step, we will use only evolutionary information from an MSA file:</p> <p>In this step, we will use only evolutionary information from an MSA file:</p>
<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>esgemme aliBLAT.fasta -f aliBLAT.fasta <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>escott aliBLAT.fasta -f aliBLAT.fasta
</pre></div> </pre></div>
</div> </div>
<p>After a few minutes of calculation, you must see at least two files named <p>After a few minutes of calculation, you must see at least two files named
...@@ -153,7 +153,7 @@ the entire single point mutational landscape of BLAT protein in these ...@@ -153,7 +153,7 @@ the entire single point mutational landscape of BLAT protein in these
files.</p> files.</p>
<p>If you want to utilize structural information (highly recommended) as well as <p>If you want to utilize structural information (highly recommended) as well as
evolutionary information:</p> evolutionary information:</p>
<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>esgemme aliBLAT.fasta -f aliBLAT.fasta --pdbfile blat-af2.pdb <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>escott aliBLAT.fasta -f aliBLAT.fasta --pdbfile blat-af2.pdb
</pre></div> </pre></div>
</div> </div>
</section> </section>
...@@ -168,11 +168,11 @@ Fortunately, we have an example mut in data folder of PRESCOTT repository.</p> ...@@ -168,11 +168,11 @@ Fortunately, we have an example mut in data folder of PRESCOTT repository.</p>
</div> </div>
<p>Similar to the previous step, there are two possible ways to do the calculations: with or without <p>Similar to the previous step, there are two possible ways to do the calculations: with or without
structural information. First, let’s do it without structural information:</p> structural information. First, let’s do it without structural information:</p>
<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>esgemme aliBLAT.fasta -f aliBLAT.fasta -m Stiffler_2015_BLAT_ECOLX.mut <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>escott aliBLAT.fasta -f aliBLAT.fasta -m Stiffler_2015_BLAT_ECOLX.mut
</pre></div> </pre></div>
</div> </div>
<p>You can include structural information in the following way:</p> <p>You can include structural information in the following way:</p>
<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>esgemme aliBLAT.fasta -f aliBLAT.fasta --pdbfile blat-af2.pdb <span class="se">\</span> <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>escott aliBLAT.fasta -f aliBLAT.fasta --pdbfile blat-af2.pdb <span class="se">\</span>
-m Stiffler_2015_BLAT_ECOLX.mut -m Stiffler_2015_BLAT_ECOLX.mut
</pre></div> </pre></div>
</div> </div>
...@@ -184,7 +184,7 @@ In addition, you won’t have a png file like in the previous case.</p> ...@@ -184,7 +184,7 @@ In addition, you won’t have a png file like in the previous case.</p>
</section> </section>
<section id="multiple-point-mutation-calculations"> <section id="multiple-point-mutation-calculations">
<h2>Multiple point mutation calculations<a class="headerlink" href="#multiple-point-mutation-calculations" title="Permalink to this heading"></a></h2> <h2>Multiple point mutation calculations<a class="headerlink" href="#multiple-point-mutation-calculations" title="Permalink to this heading"></a></h2>
<p>Sometimes, we need to see effects of double or triple mutations. PRESCOTT can <p>Sometimes, we need to see effects of double or triple mutations. ESCOTT can
perform calculations if you provide a mut file. In this case, the mut file must perform calculations if you provide a mut file. In this case, the mut file must
have the following format:</p> have the following format:</p>
<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>E26D:Y44R <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>E26D:Y44R
......
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<li class="toctree-l1"><a class="reference internal" href="docker.html">Using PRESCOTT via Docker</a></li> <li class="toctree-l1"><a class="reference internal" href="docker.html">Using ESCOTT via Docker</a></li>
<li class="toctree-l1"><a class="reference internal" href="analysis.html">Analyzing and Modifying the PRESCOTT Output</a></li> <li class="toctree-l1"><a class="reference internal" href="analysis.html">Analyzing and Modifying the PRESCOTT Output</a></li>
<li class="toctree-l1"><a class="reference internal" href="input-preparation.html">Preparing Your Own Input</a></li> <li class="toctree-l1"><a class="reference internal" href="input-preparation.html">Preparing Your Own Input</a></li>
<li class="toctree-l1"><a class="reference internal" href="installation.html">Installation</a></li> <li class="toctree-l1"><a class="reference internal" href="installation.html">Installation</a></li>
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<li class="toctree-l1"><a class="reference internal" href="docker.html">Using PRESCOTT via Docker</a></li> <li class="toctree-l1"><a class="reference internal" href="docker.html">Using ESCOTT via Docker</a></li>
<li class="toctree-l1"><a class="reference internal" href="analysis.html">Analyzing and Modifying the PRESCOTT Output</a></li> <li class="toctree-l1"><a class="reference internal" href="analysis.html">Analyzing and Modifying the PRESCOTT Output</a></li>
<li class="toctree-l1"><a class="reference internal" href="input-preparation.html">Preparing Your Own Input</a></li> <li class="toctree-l1"><a class="reference internal" href="input-preparation.html">Preparing Your Own Input</a></li>
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...@@ -44,7 +44,7 @@ ...@@ -44,7 +44,7 @@
</div><div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="Navigation menu"> </div><div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="Navigation menu">
<p class="caption" role="heading"><span class="caption-text">Contents:</span></p> <p class="caption" role="heading"><span class="caption-text">Contents:</span></p>
<ul> <ul>
<li class="toctree-l1"><a class="reference internal" href="docker.html">Using PRESCOTT via Docker</a></li> <li class="toctree-l1"><a class="reference internal" href="docker.html">Using ESCOTT via Docker</a></li>
<li class="toctree-l1"><a class="reference internal" href="analysis.html">Analyzing and Modifying the PRESCOTT Output</a></li> <li class="toctree-l1"><a class="reference internal" href="analysis.html">Analyzing and Modifying the PRESCOTT Output</a></li>
<li class="toctree-l1"><a class="reference internal" href="input-preparation.html">Preparing Your Own Input</a></li> <li class="toctree-l1"><a class="reference internal" href="input-preparation.html">Preparing Your Own Input</a></li>
<li class="toctree-l1"><a class="reference internal" href="installation.html">Installation</a></li> <li class="toctree-l1"><a class="reference internal" href="installation.html">Installation</a></li>
......
docs/_build/html/searchindex.js
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docs/_build/latex/prescott.aux
...@@ -20,11 +20,11 @@ ...@@ -20,11 +20,11 @@
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docs/_build/latex/prescott.fdb_latexmk
# Fdb version 3 # Fdb version 3
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......
docs/_build/latex/prescott.log
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Chapter 5. Chapter 5.
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docs/_build/latex/prescott.out
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docs/_build/latex/prescott.tex
...@@ -61,8 +61,8 @@ ...@@ -61,8 +61,8 @@
\title{prescott} \title{prescott}
\date{Aug 11, 2023} \date{Sep 27, 2023}
\release{1.4.0} \release{1.5.0}
\author{Mustafa Tekpinar} \author{Mustafa Tekpinar}
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...@@ -85,8 +85,8 @@ ...@@ -85,8 +85,8 @@
\sphinxstepscope \sphinxstepscope
\chapter{Using PRESCOTT via Docker} \chapter{Using ESCOTT via Docker}
\label{\detokenize{docker:using-prescott-via-docker}}\label{\detokenize{docker::doc}} \label{\detokenize{docker:using-escott-via-docker}}\label{\detokenize{docker::doc}}
\section{Requirements} \section{Requirements}
\label{\detokenize{docker:requirements}} \label{\detokenize{docker:requirements}}
...@@ -155,7 +155,7 @@ you may not need ‘sudo’ word before the docker command at all. ...@@ -155,7 +155,7 @@ you may not need ‘sudo’ word before the docker command at all.
\begin{sphinxVerbatim}[commandchars=\\\{\}] \begin{sphinxVerbatim}[commandchars=\\\{\}]
sudo docker run \PYGZhy{}ti \PYGZhy{}\PYGZhy{}rm \PYGZhy{}\PYGZhy{}mount \PYG{n+nv}{type}\PYG{o}{=}bind,source\PYG{o}{=}\PYG{n+nv}{\PYGZdl{}PWD},target\PYG{o}{=}/home/tekpinar/research/myexample \PYG{l+s+se}{\PYGZbs{}} sudo docker run \PYGZhy{}ti \PYGZhy{}\PYGZhy{}rm \PYGZhy{}\PYGZhy{}mount \PYG{n+nv}{type}\PYG{o}{=}bind,source\PYG{o}{=}\PYG{n+nv}{\PYGZdl{}PWD},target\PYG{o}{=}/home/tekpinar/research/myexample \PYG{l+s+se}{\PYGZbs{}}
tekpinar/esgemme\PYGZhy{}docker:v1.4.0 tekpinar/prescott\PYGZhy{}docker:v1.5.0
\end{sphinxVerbatim} \end{sphinxVerbatim}
\sphinxAtStartPar \sphinxAtStartPar
...@@ -180,7 +180,7 @@ docker container are pointing to the same place. ...@@ -180,7 +180,7 @@ docker container are pointing to the same place.
In this step, we will use only evolutionary information from an MSA file: In this step, we will use only evolutionary information from an MSA file:
\begin{sphinxVerbatim}[commandchars=\\\{\}] \begin{sphinxVerbatim}[commandchars=\\\{\}]
esgemme aliBLAT.fasta \PYGZhy{}f aliBLAT.fasta escott aliBLAT.fasta \PYGZhy{}f aliBLAT.fasta
\end{sphinxVerbatim} \end{sphinxVerbatim}
\sphinxAtStartPar \sphinxAtStartPar
...@@ -194,7 +194,7 @@ If you want to utilize structural information (highly recommended) as well as ...@@ -194,7 +194,7 @@ If you want to utilize structural information (highly recommended) as well as
evolutionary information: evolutionary information:
\begin{sphinxVerbatim}[commandchars=\\\{\}] \begin{sphinxVerbatim}[commandchars=\\\{\}]
esgemme aliBLAT.fasta \PYGZhy{}f aliBLAT.fasta \PYGZhy{}\PYGZhy{}pdbfile blat\PYGZhy{}af2.pdb escott aliBLAT.fasta \PYGZhy{}f aliBLAT.fasta \PYGZhy{}\PYGZhy{}pdbfile blat\PYGZhy{}af2.pdb
\end{sphinxVerbatim} \end{sphinxVerbatim}
...@@ -215,14 +215,14 @@ Similar to the previous step, there are two possible ways to do the calculations ...@@ -215,14 +215,14 @@ Similar to the previous step, there are two possible ways to do the calculations
structural information. First, let’s do it without structural information: structural information. First, let’s do it without structural information:
\begin{sphinxVerbatim}[commandchars=\\\{\}] \begin{sphinxVerbatim}[commandchars=\\\{\}]
esgemme aliBLAT.fasta \PYGZhy{}f aliBLAT.fasta \PYGZhy{}m Stiffler\PYGZus{}2015\PYGZus{}BLAT\PYGZus{}ECOLX.mut escott aliBLAT.fasta \PYGZhy{}f aliBLAT.fasta \PYGZhy{}m Stiffler\PYGZus{}2015\PYGZus{}BLAT\PYGZus{}ECOLX.mut
\end{sphinxVerbatim} \end{sphinxVerbatim}
\sphinxAtStartPar \sphinxAtStartPar
You can include structural information in the following way: You can include structural information in the following way:
\begin{sphinxVerbatim}[commandchars=\\\{\}] \begin{sphinxVerbatim}[commandchars=\\\{\}]
esgemme aliBLAT.fasta \PYGZhy{}f aliBLAT.fasta \PYGZhy{}\PYGZhy{}pdbfile blat\PYGZhy{}af2.pdb \PYG{l+s+se}{\PYGZbs{}} escott aliBLAT.fasta \PYGZhy{}f aliBLAT.fasta \PYGZhy{}\PYGZhy{}pdbfile blat\PYGZhy{}af2.pdb \PYG{l+s+se}{\PYGZbs{}}
\PYGZhy{}m Stiffler\PYGZus{}2015\PYGZus{}BLAT\PYGZus{}ECOLX.mut \PYGZhy{}m Stiffler\PYGZus{}2015\PYGZus{}BLAT\PYGZus{}ECOLX.mut
\end{sphinxVerbatim} \end{sphinxVerbatim}
...@@ -236,7 +236,7 @@ In addition, you won’t have a png file like in the previous case. ...@@ -236,7 +236,7 @@ In addition, you won’t have a png file like in the previous case.
\section{Multiple point mutation calculations} \section{Multiple point mutation calculations}
\label{\detokenize{docker:multiple-point-mutation-calculations}} \label{\detokenize{docker:multiple-point-mutation-calculations}}
\sphinxAtStartPar \sphinxAtStartPar
Sometimes, we need to see effects of double or triple mutations. PRESCOTT can Sometimes, we need to see effects of double or triple mutations. ESCOTT can
perform calculations if you provide a mut file. In this case, the mut file must perform calculations if you provide a mut file. In this case, the mut file must
have the following format: have the following format:
......
docs/_build/latex/prescott.toc
\babel@toc {english}{}\relax \babel@toc {english}{}\relax
\contentsline {chapter}{\numberline {1}Using PRESCOTT via Docker}{1}{chapter.1}% \contentsline {chapter}{\numberline {1}Using ESCOTT via Docker}{1}{chapter.1}%
\contentsline {section}{\numberline {1.1}Requirements}{1}{section.1.1}% \contentsline {section}{\numberline {1.1}Requirements}{1}{section.1.1}%
\contentsline {section}{\numberline {1.2}Getting the example input data}{1}{section.1.2}% \contentsline {section}{\numberline {1.2}Getting the example input data}{1}{section.1.2}%
\contentsline {section}{\numberline {1.3}Single point mutation calculations}{2}{section.1.3}% \contentsline {section}{\numberline {1.3}Single point mutation calculations}{2}{section.1.3}%
......
docs/conf.py
...@@ -23,7 +23,7 @@ copyright = '2023, Mustafa Tekpinar' ...@@ -23,7 +23,7 @@ copyright = '2023, Mustafa Tekpinar'
author = 'Mustafa Tekpinar' author = 'Mustafa Tekpinar'
# The full version, including alpha/beta/rc tags # The full version, including alpha/beta/rc tags
release = '1.4.0' release = '1.5.0'
# -- General configuration --------------------------------------------------- # -- General configuration ---------------------------------------------------
......
docs/docker.rst
Using PRESCOTT via Docker Using ESCOTT via Docker
======================== ========================
Requirements Requirements
...@@ -60,7 +60,7 @@ you may not need ‘sudo’ word before the docker command at all. ...@@ -60,7 +60,7 @@ you may not need ‘sudo’ word before the docker command at all.
.. code:: bash .. code:: bash
sudo docker run -ti --rm --mount type=bind,source=$PWD,target=/home/tekpinar/research/myexample \ sudo docker run -ti --rm --mount type=bind,source=$PWD,target=/home/tekpinar/research/myexample \
tekpinar/esgemme-docker:v1.4.0 tekpinar/prescott-docker:v1.5.0
You are in the container (your virtual operating system) now. You You are in the container (your virtual operating system) now. You
created a folder called myexample in your container with the previous created a folder called myexample in your container with the previous
...@@ -81,7 +81,7 @@ In this step, we will use only evolutionary information from an MSA file: ...@@ -81,7 +81,7 @@ In this step, we will use only evolutionary information from an MSA file:
.. code:: bash .. code:: bash
esgemme aliBLAT.fasta -f aliBLAT.fasta escott aliBLAT.fasta -f aliBLAT.fasta
After a few minutes of calculation, you must see at least two files named After a few minutes of calculation, you must see at least two files named
BLAT_normPred_evolCombi.txt and BLAT_normPred_evolCombi.png. You have BLAT_normPred_evolCombi.txt and BLAT_normPred_evolCombi.png. You have
...@@ -93,7 +93,7 @@ evolutionary information: ...@@ -93,7 +93,7 @@ evolutionary information:
.. code:: bash .. code:: bash
esgemme aliBLAT.fasta -f aliBLAT.fasta --pdbfile blat-af2.pdb escott aliBLAT.fasta -f aliBLAT.fasta --pdbfile blat-af2.pdb
Predicting the effect of a subset of single point mutations Predicting the effect of a subset of single point mutations
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
...@@ -111,13 +111,13 @@ structural information. First, let's do it without structural information: ...@@ -111,13 +111,13 @@ structural information. First, let's do it without structural information:
.. code:: bash .. code:: bash
esgemme aliBLAT.fasta -f aliBLAT.fasta -m Stiffler_2015_BLAT_ECOLX.mut escott aliBLAT.fasta -f aliBLAT.fasta -m Stiffler_2015_BLAT_ECOLX.mut
You can include structural information in the following way: You can include structural information in the following way:
.. code:: bash .. code:: bash
esgemme aliBLAT.fasta -f aliBLAT.fasta --pdbfile blat-af2.pdb \ escott aliBLAT.fasta -f aliBLAT.fasta --pdbfile blat-af2.pdb \
-m Stiffler_2015_BLAT_ECOLX.mut -m Stiffler_2015_BLAT_ECOLX.mut
You will have BLAT_normPred_evolCombi.txt file in your folder. However, the output You will have BLAT_normPred_evolCombi.txt file in your folder. However, the output
...@@ -127,7 +127,7 @@ In addition, you won't have a png file like in the previous case. ...@@ -127,7 +127,7 @@ In addition, you won't have a png file like in the previous case.
Multiple point mutation calculations Multiple point mutation calculations
------------------------------------ ------------------------------------
Sometimes, we need to see effects of double or triple mutations. PRESCOTT can Sometimes, we need to see effects of double or triple mutations. ESCOTT can
perform calculations if you provide a mut file. In this case, the mut file must perform calculations if you provide a mut file. In this case, the mut file must
have the following format: have the following format:
......
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