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Change to fix formatting issues of trailing white space
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gianmarco-terrones committed Sep 15, 2023
1 parent e664dbb commit f619d23
Showing 1 changed file with 1 addition and 0 deletions.
1 change: 1 addition & 0 deletions molSimplify/Informatics/MOF/MOF_descriptors.py
Original file line number Diff line number Diff line change
Expand Up @@ -387,6 +387,7 @@ def make_MOF_linker_RACs(linkerlist, linker_subgraphlist, molcif, depth, name, c
if not os.path.exists(xyz_path):
linker_mol_fcoords_connected = XYZ_connected(cell_v, linker_mol_cart_coords, linker_mol_adj_mat)
writeXYZandGraph(xyz_path, linker_mol_atom_labels, cell_v, linker_mol_fcoords_connected, linker_mol_adj_mat)

# Write TXT file indicating the connecting atoms
linker_index_connection_indices = []
for item in global_connection_indices:
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