using Jan's code to visualise the esp fitting points

the code you need is fit_points.py
this can be found in repESP/scripts
this code plots fitting or cube points in 2 or 3D colored by field values
to avoid a cluttered plot it is recommended to specify a 'slice' of points
two arguments are required, the file containing the points and identifying a full 3D plot or a 2D slice
other arguments are optional as usual use "fit_points.py -h" to get a help menu
note, if you want the red boxes removed, edit "graphs.py" in repESP
the following will load an interactive graph, click on the window close button to return to your terminal
options and colour controls
-o filename will send the image directly to a png file (the interactive graph will not open)

--sym_color_range will make the colour range symmetric, the default is unsymetric
fit_points.py ch3oh_mk.esp 2 --sym_color_range --slice_dist 1.5 --slice_atoms 1 5 6

--color_range LOWER UPPER allows you to define a particular range
fit_points.py ch3oh_mk.esp 2 --color_range -.1 0.1 --slice_dist 1.5 --slice_atoms 1 5 6

fit_points.py ch3oh_mk.esp 3

the following take a slice through the C,O and H (of the OH)
the slice includes all points within is 1.5 Angsrom from the plane of the C-O-H atoms
not sure if this is 1.5 Å in total or 1.5 either side of the plane!

fit_points.py ch3oh_mk.esp 2 --slice_dist 1.5 --slice_atoms 1 5 6
*will open a fixed plot of points within the slice in 2D	example plot of MK mesh for ch3oh
fit_points.py ch3oh_mk.esp 3 --slice_dist 1.5 --slice_atoms 1 5 6
*will open a rotatable plot of all points within the slice	example plot of MK mesh for ch3oh

how to alter the visuals

if you want to alter things like the point size and circle size you will need to delve into the code
save an original copy of repESP/graphs.py and then head into graphs.py
you are looking for "ax.scatter" to edit
you are interested in the

maker size (s) the default is 5 you can increase or decrease this

marker style (marker)

line width (lw) a value between 5 and 100 seems good

transparency (alpha) a value between 0(transparent) and 1(opaque)

 ax.scatter(*coords[:dimension], marker='D', c=marker_fill)

to edit the 3D rotatable graph you want to edit the ax.scatter on line 286, here is the original code

image = ax.scatter(*list(zip(*points))[:dimension], c=values,
                       cmap=cmap, vmin=vmin, vmax=vmax, s=5, lw=0.5)

image = ax.scatter(*list(zip(*points))[:dimension], c=values,
                       cmap=cmap, vmin=vmin, vmax=vmax, alpha=0.5,  s=100, lw=0)

to edit the axis details you need to alter _plot_common on line 21, here is the start of the original code

def _plot_common(dimension, title, guideline=False):

the axis width is currently the default so you need to add some code but this is not working!
the color changes but not the thickness

#      ax.xaxis._axinfo["grid"].update({"linewidth":1, "color":"red"})
#      ax.xaxis._axinfo["grid"]['linewidth'] = 3.0

an example of my changes

fit_points.py ch3oh_mk.esp 3
*will open a rotatable graph of all points in 3D with my options	example plot of MK mesh for ch3oh with altered parameters