summary_xvg

summarize xvg data
compute basic summary statistics (mean, sd, min, median, max)
for each variable in one or more xvg_data objects.

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

summary_xvg function

<dl><dt>xvg_data</dt>
<dd>a list of class 'xvg_data' or a list containing multiple 'xvg_data' objects, as returned by <code>read_xvg()</code>.</dd>
<dt>merge_results</dt>
<dd>logical, whether to combine results from multiple objects (default: FALSE).
When TRUE, results will include a 'group' column identifying the source.</dd></dl>

Arguments

summarize xvg data
compute basic summary statistics (mean, sd, min, median, max)
for each variable in one or more xvg_data objects. — summary_xvg

<dl>

<dt>xvg_data</dt>
<dd>a list of class 'xvg_data' or a list containing multiple 'xvg_data' objects, as returned by <code>read_xvg()</code>.</dd>


<dt>merge_results</dt>
<dd>logical, whether to combine results from multiple objects (default: FALSE).
When TRUE, results will include a 'group' column identifying the source.</dd>

</dl>

summary_xvg: summarize xvg data compute basic summary statistics (mean, sd, min, median, max) for each variable in one or more xvg_data objects.

Description

Usage

Value

Arguments

Examples