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cif2pdb improve priting
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rna_tools/rna_pdb_tools.py

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -1293,16 +1293,16 @@ def has_high_rna_content(chain, threshold=0.8):
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remarks = []
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remarks.append(f'REMARK rna chain {chain.id} -> {chain_id_new}')
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1296+
pdb_file = cif_file.replace('.cif', f'_{chain_id}_n{chain_id_new}_fCIF.pdb')
1297+
print(f'rna chain {chain.id} -> {chain_id_new} {pdb_file} # of atoms: {atom_count}')
1298+
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chain.id = chain_id_new
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new_model.add(chain)
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1299-
pdb_file = cif_file.replace('.cif', f'_{chain_id}_n{chain_id_new}_fCIF.pdb')
1300-
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io = PDBIO()
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io.set_structure(new_structure)
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io.save(pdb_file)
1305-
print(f'rna chain {chain.id} -> {chain_id_new} # of atoms: {atom_count} {pdb_file}')
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# open a file add remarks
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new_file = ''
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with open(pdb_file, 'r') as f:

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