pyqmmm.md.cc_coupling

Module Contents

Functions

format_plot(→ None)

General plotting parameters for the Kulik Lab.

heatmap(→ None)

Generates formatted heat maps.
pyqmmm.md.cc_coupling.format_plot() → None[source]

General plotting parameters for the Kulik Lab.

pyqmmm.md.cc_coupling.heatmap(data: str, delete: List[int] = [], out_file: str = 'heatmap', v=[-0.4, 0.4]) → None[source]

Generates formatted heat maps. Uses the Kulik Lab figure formatting standards. :Parameters: * data (str) – The name of the data file, which can be a data or a dat file.

  • delete (List[int]) – A list of the amino acids you would like removed indexed at zero.

  • out_file (str) – The name you would like the image saved as.