parse_xvg

parses content from a single GROMACS-generated xvg file

internal

Provides tools for reading, parsing and visualizing simulation data stored in 'xvg'/'xpm' file
formats (commonly generated by 'GROMACS' molecular dynamics software). Streamlines post-processing
and analysis of molecular dynamics ('MD') simulation outputs, enabling efficient exploration of
molecular stability and conformational changes. Supports import of trajectory metrics ('RMSD',
energy, temperature) and creation of publication-ready visualizations through integration with
'ggplot2'.

BeiHao Li

Read, Parse and Visualize 'XVG'/'XPM' Files from Molecular
Dynamics

parse_xvg function

<dl><dt>lines</dt>
<dd>character vector of text lines from xvg file</dd>
<dt>skip_comments</dt>
<dd>logical indicating whether to skip comment lines (default: TRUE)</dd></dl>

Arguments

parse xvg file content — parse_xvg

<dl>

<dt>lines</dt>
<dd>character vector of text lines from xvg file</dd>


<dt>skip_comments</dt>
<dd>logical indicating whether to skip comment lines (default: TRUE)</dd>

</dl>

parse_xvg: parse xvg file content

Description

Usage

Value

Arguments