BioSimSpace.Notebook#
The Notebook package contains tools that are used when BioSimSpace is run interactively, e.g. within a Jupyter notebook.
Functions#
|
A simple function to create x/y plots with matplotlib. |
|
A simple function to create two-dimensional contour plots with matplotlib. |
|
Plot the overlap matrix from a free-energy perturbation analysis. |
Examples
Generate a line graph using two lists of data.
If no argument is passed for the x
data then each y
data value is
plotted against its list index.
Use the xlabel
and ylabel
arguments to add labels to your plots.
Error bars can be added using xerror
and yerror
.
It is possible to generate plots from the output of a real-time simulation.
Where functions return time-series data containing BioSimSpace.Types, then
axis labels will be automatically generated. (The xlabel
and ylabel
still take precedence.)
Classes#
|
A class for handling interactive molecular visualisations. |
Examples
Load and visualise a molecular system.
Attach a View
to a running molecular
dynamics Process
and visualise the first molecule in
the system from the latest configuration in real-time.