Commit 1ad2a162 authored by Carlos GO's avatar Carlos GO
Browse files

pos str

parent 4cf80f1a
......@@ -36,8 +36,8 @@ def parse_fr3d(fr3d_path, pdb_path):
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, pos_1)] = nuc_1
nucs[(chain_2, pos_2)] = nuc_2
nucs[(chain_1, str(pos_1)] = nuc_1
nucs[(chain_2, str(pos_2)] = nuc_2
nx.set_node_attributes(G, nucs, 'nt')
# use BioPython to fill in the backbones
......@@ -48,8 +48,9 @@ def parse_fr3d(fr3d_path, pdb_path):
for i,residue in enumerate(reslist):
if i == 0:
continue
r1 = (chain.id, residue.id[1])
r2 = (chain.id, reslist[i-1].id[1])
r1 = (chain.id, str(residue.id[1]))
r2 = (chain.id, str(reslist[i-1].id[1]))
print(r1, r2)
try:
G[r1]
G[r2]
......
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