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Oct 20, 2020
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updates documentation #59

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4 changes: 2 additions & 2 deletions conda_recipe/meta.yaml
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package:
name: pnab
version: "1.1.2"
version: "1.1.3"

source:
git_url: https://github.com/alenaizan/pnab.git
git_tag: v1.1.2
git_tag: v1.1.3

build:
number: 0
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6 changes: 4 additions & 2 deletions docs/html/trying_and_installing.html
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<p>If you need a more permanent version of the program, you can install it in your computer.</p>
<h1><a class="anchor" id="installation"></a>
Installation</h1>
<p>The pNAB program is available as a conda package. Download the light-weight <a href="https://docs.conda.io/en/latest/miniconda.html">miniconda</a> or the more fully featured <a href="https://www.anaconda.com/distribution/">Anaconda</a>. Open the conda terminal and type: </p><div class="fragment"><div class="line">conda install -c conda-forge -c alenaizan pnab</div>
</div><!-- fragment --><dl class="section note"><dt>Note</dt><dd>You may need to activate the NGLView library to visualize molecules: <div class="fragment"><div class="line">jupyter-nbextension enable nglview --py --sys-prefix</div>
<p>The pNAB program is available as a conda package. Download the light-weight <a href="https://docs.conda.io/en/latest/miniconda.html">miniconda</a> or the more fully featured <a href="https://www.anaconda.com/distribution/">Anaconda</a>. Open the conda terminal and type: </p><div class="fragment"><div class="line">conda create -n pnab -c alenaizan -c conda-forge pnab</div>
<div class="line">conda activate pnab</div>
</div><!-- fragment --><p> This creates and activates a new conda environment called <code>pnab</code>.</p>
<dl class="section note"><dt>Note</dt><dd>You may need to activate the NGLView library to visualize molecules: <div class="fragment"><div class="line">jupyter-nbextension enable nglview --py --sys-prefix</div>
</div><!-- fragment --></dd>
<dd>
In Windows, the program may not compute energires correctly if the environment variable BABEL_DATADIR is not set. Set the variable to the<div class="fragment"><div class="line">share\openbabel </div>
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5 changes: 3 additions & 2 deletions docs/latex/trying_and_installing.tex
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If you need a more permanent version of the program, you can install it in your computer.\hypertarget{trying_and_installing_installation}{}\doxysubsection{Installation}\label{trying_and_installing_installation}
The p\+N\+AB program is available as a conda package. Download the light-\/weight \href{https://docs.conda.io/en/latest/miniconda.html}{\texttt{ miniconda}} or the more fully featured \href{https://www.anaconda.com/distribution/}{\texttt{ Anaconda}}. Open the conda terminal and type\+:
\begin{DoxyCode}{0}
\DoxyCodeLine{conda install -\/c conda-\/forge -\/c alenaizan pnab}
\DoxyCodeLine{conda create -\/n pnab -\/c alenaizan -\/c conda-\/forge pnab}
\DoxyCodeLine{conda activate pnab}
\end{DoxyCode}

This creates and activates a new conda environment called {\ttfamily pnab}.

\begin{DoxyNote}{Note}
You may need to activate the N\+G\+L\+View library to visualize molecules\+:
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