Commit 7cb71e98 authored by Carlos GO's avatar Carlos GO
Browse files

pocket image

parent b510bcf1
......@@ -26,6 +26,8 @@ Data used for training, models and binding pocket visualizations available [here
## Pocket Graph Drawing
![](images/image.png)
## Computing GED
For a pair of graphs.
......
......@@ -87,16 +87,5 @@ def graph_draw(G_p, save=False, show=False, node_colors=[], title="", color='gre
plt.show()
plt.clf()
if __name__ == "__main__":
# graphdir = '../Data/pockets_beta_nt'
# graphdir = '../Data/non_binding_graphs'
graphdir = '../Data/pockets_gamma'
# g = nx.read_gpickle('../Data/pockets_beta_nt/1et4_CNC_G.nxpickle')
n = len(os.listdir(graphdir))
for i, f in enumerate(os.listdir(graphdir)):
g = nx.read_gpickle(os.path.join(graphdir, f))
print(f"{i} of {n}")
# graph_draw(g, show=False, save=f"../Data/pockets_beta_images_nt/{f.replace('.nxpickle', '.pdf')}")
# graph_draw(g, show=True)
graph_draw(g, show=False, save=f"../Data/pockets_gamma_images/{f.replace('.nxpickle', '.pdf')}")
# graph_draw(g, show=True, save='hello.pdf')
# sys.exit()
g = nx.read_gpickle('../data/sample_graphs/3ds7_GNG_P.nxpickle')
graph_draw(g, show=True)
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