Commit fb9dda3a authored by Carlos GO's avatar Carlos GO
Browse files

clean nuc parse

parent f421e498
......@@ -32,12 +32,11 @@ def parse_fr3d(fr3d_path, pdb_path):
chain_1, pos_1, nuc_1 = base_1.split("_")[1:]
chain_2, pos_2, nuc_2 = base_2.split("_")[1:]
label = label.upper().strip()[1:-1]
print(label, VALID_EDGES, label in VALID_EDGES)
if label in VALID_EDGES:
label = label[0] + "".join(sorted(label[1:]))
G.add_edge((chain_1, pos_1), (chain_2, pos_2), label=label)
nucs[(chain_1, str(pos_1))] = nuc_1.strip()
nucs[(chain_2, str(pos_2))] = nuc_2.strip()
nucs[(chain_1, str(pos_1))] = nuc_1[0].strip()
nucs[(chain_2, str(pos_2))] = nuc_2[0].strip()
nx.set_node_attributes(G, nucs, 'nt')
# use BioPython to fill in the backbones
......@@ -92,5 +91,6 @@ def get_graph(pdb_path):
if __name__ == "__main__":
# get_graph("static/samples/1aju.cif")
get_graph("/home/www/rnabayespairing/static/samples/1aju.cif")
# get_graph("/home/www/rnabayespairing/static/samples/1aju.cif")
parse_fr3d("1aju.csv", "")
pass
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