Scripts for using PyMOL together with quantum chemistry programs. So far this includes utilities for plotting densities and ESPs, and drawing arrows for dipole moments.
Author: Felix Plasser
Please use github Issues if you have any questions or suggestions. Contributions to the code are very welcome (for example via a pull request).
Load the script file from the PyMOL console and initialize some settings
run <qc_pymol>/dens_plot.py
dens_plot_init
Plot a density given as cube file
show_dens dens.cube
Map the ESP onto the density
map_esp dens.cube, esp.cube
Plot all files with suffix cube using isovalues of +/-0.005
save_dens_multi cube, -0.005 0.005
Information about all the contained functions and options
dens_plot_help