mdplot¶
This task generates plots from the output of MD tasks. It can plot energy-like quantities vs time, and profile quantities vs distance along the z-axis. The plots are generated using matplotlib, and are saved as image files. This task can be part of a standard build, or it can be used via the command line (pestifer mdplot) to generate plots from existing NAMD logs and xst files.
Single-valued attributes:
reprocess-logs: whether to run the mdplot task as part of a standard build or as a post-processing step (default: False)
profiles: List of profile quantities to plot vs distance along z-axis
profiles-per-block: Number of profiles to average per block (default: 100)
histograms: List of histogram quantities to plot vs distance along z-axis
colormap: matplotlib colormap for multiple traces on a single plot (default: tab10)
colormap-direction: direction of colormap; 1 for normal, -1 for reversed (default: 1)
legend: include a legend (default: True)
grid: include a grid (default: False)
basename: Baseame of image/CSV file(s) to generate (default: myplot)
output_dir: Subdirectory into which PNG plot files are written; created if absent (default: mdplots)
Container-like attributes: