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Commit be256d0

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author
Xiao Wang
committed
swtich to support af3 cif format
1 parent 4a15402 commit be256d0

1 file changed

Lines changed: 8 additions & 3 deletions

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ops/pdb_utils.py

Lines changed: 8 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -352,9 +352,14 @@ def cif2pdb(input_cif_path,final_pdb_path):
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chain_ids = block_list.index("_atom_site.label_asym_id")
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atom_type_ids = block_list.index("_atom_site.label_atom_id")
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res_name_ids = block_list.index("_atom_site.label_comp_id")
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x_ids = block_list.index("_atom_site.Cartn_x")
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y_ids = block_list.index("_atom_site.Cartn_y")
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z_ids = block_list.index("_atom_site.Cartn_z")
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try:
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x_ids = block_list.index("_atom_site.Cartn_x")
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y_ids = block_list.index("_atom_site.Cartn_y")
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z_ids = block_list.index("_atom_site.Cartn_z")
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except:
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x_ids = block_list.index("_atom_site.cartn_x")
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y_ids = block_list.index("_atom_site.cartn_y")
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z_ids = block_list.index("_atom_site.cartn_z")
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try:
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occu_ids= block_list.index['_atom_site.occupancy']
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except:

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