Example 6ΒΆ

Example 6 for running the test on OctaDist PyPI

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# Example 6 for running the test on OctaDist PyPI #
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import os
import octadist as oc

dir_path = os.path.dirname(os.path.realpath(__file__))
input_folder = os.path.join(dir_path, "../example-input/")
file = input_folder + "Multiple-metals.xyz"

atom_full, coord_full = oc.io.extract_coord(file)

# Display and automatically save image as .png file with user-specified name
my_plot = oc.draw.DrawComplex_Matplotlib(atom=atom_full, coord=coord_full)
my_plot.add_atom()
my_plot.add_bond()
my_plot.add_legend()
my_plot.save_img()
my_plot.show_plot()

# Output image, Complex_saved_by_OctaDist.png, is stored at ../images directory
structure to show

Snapshot of structure saved by OctaDist.