Data_Creation_from_pdb_files.ipynb

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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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                  "text/plain": "Reading PDB file...         \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nProcessing PDB dataframe... \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nInitializing graph...       \u001b[38;2;114;156;31m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m100%\u001b[0m \u001b[36m0:00:00\u001b[0m\nConstructing edges...       \u001b[38;5;237m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[35m  0%\u001b[0m \u001b[36m-:--:--\u001b[0m\n",
                  "text/html": "<pre style=\"white-space:pre;overflow-x:auto;line-height:normal;font-family:Menlo,'DejaVu Sans Mono',consolas,'Courier New',monospace\">Reading PDB file...         <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nProcessing PDB dataframe... <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nInitializing graph...       <span style=\"color: #729c1f; text-decoration-color: #729c1f\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">100%</span> <span style=\"color: #008080; text-decoration-color: #008080\">0:00:00</span>\nConstructing edges...       <span style=\"color: #3a3a3a; text-decoration-color: #3a3a3a\">━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━</span> <span style=\"color: #800080; text-decoration-color: #800080\">  0%</span> <span style=\"color: #008080; text-decoration-color: #008080\">-:--:--</span>\n</pre>\n"
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  },
  "cells": [
    {
      "cell_type": "code",
      "execution_count": null,
      "metadata": {
        "id": "T0FxK5FSYL0W"
      },
      "outputs": [],
      "source": [
        "import numpy as np"
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "from google.colab import drive\n",
        "drive.mount('/content/drive')"
      ],
      "metadata": {
        "id": "soLqExI9YWgL"
      },
      "execution_count": null,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "\n",
        "import os\n",
        "\n",
        "filepath = \"/content/drive/MyDrive/alphafold_results/\"\n",
        "files = os.listdir(\"/content/drive/MyDrive/alphafold_results\")\n",
        "\n",
        "import pandas as pd\n",
        "df = pd.read_csv(\"/content/drive/MyDrive/alphafold_results/train.csv\")\n"
      ],
      "metadata": {
        "id": "9lhPwGlKY2n6"
      },
      "execution_count": null,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "## Extract and copy pdb files\n",
        "\n",
        "for i in range(len(files)):\n",
        "    !unzip -o {filepath + files[i]} -d {files[i].split(\".\")[0]}\n",
        "\n",
        "import shutil\n",
        "for i in os.listdir():\n",
        "    for j in os.listdir(i):\n",
        "            \n",
        "        if j[-4:] == \".pdb\":\n",
        "            print(i+ \"/\" + j)\n",
        "            shutil.copy(i+ \"/\" + j, \"/content/drive/MyDrive/alphafold_results\")\n",
        "            shutil.copy(i+ \"/\" + j[:10] + \".a3m\", \"/content/drive/MyDrive/alphafold_results\")\n",
        "        \n"
      ],
      "metadata": {
        "id": "2v7AqHKcFELP",
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "outputId": "e73657dd-a6f8-474c-844f-be1a160307e8"
      },
      "execution_count": null,
      "outputs": [
        {
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          "name": "stdout",
          "text": [
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            "test_a0fc1/test_a0fc1_unrelaxed_rank_1_model_1.pdb\n",
            "test_b8980/test_b8980_unrelaxed_rank_1_model_1.pdb\n",
            "test_3d223/test_3d223_unrelaxed_rank_1_model_1.pdb\n",
            "test_c91b3/test_c91b3_unrelaxed_rank_1_model_1.pdb\n",
            "test_d456b/test_d456b_unrelaxed_rank_1_model_1.pdb\n",
            "test_ae7c8/test_ae7c8_unrelaxed_rank_1_model_1.pdb\n",
            "test_3fa84/test_3fa84_unrelaxed_rank_1_model_1.pdb\n",
            "test_ee447/test_ee447_unrelaxed_rank_1_model_1.pdb\n",
            "test_65954/test_65954_unrelaxed_rank_1_model_1.pdb\n",
            "test_f307d/test_f307d_unrelaxed_rank_1_model_1.pdb\n",
            "test_3e9e4/test_3e9e4_unrelaxed_rank_1_model_1.pdb\n",
            "test_e0709/test_e0709_unrelaxed_rank_1_model_1.pdb\n",
            "test_a36f8/test_a36f8_unrelaxed_rank_1_model_1.pdb\n",
            "test_c1661/test_c1661_unrelaxed_rank_1_model_1.pdb\n",
            "test_3c295/test_3c295_unrelaxed_rank_1_model_1.pdb\n",
            "test_66f62/test_66f62_unrelaxed_rank_1_model_1.pdb\n",
            "test_342b4/test_342b4_unrelaxed_rank_1_model_1.pdb\n",
            "test_106d1/test_106d1_unrelaxed_rank_1_model_1.pdb\n",
            "test_338db/test_338db_unrelaxed_rank_1_model_1.pdb\n",
            "test_c77e0/test_c77e0_unrelaxed_rank_1_model_1.pdb\n",
            "test_86291/test_86291_unrelaxed_rank_1_model_1.pdb\n",
            "test_56354/test_56354_unrelaxed_rank_1_model_1.pdb\n",
            "test_c2c01/test_c2c01_unrelaxed_rank_1_model_1.pdb\n",
            "test_a2dc6/test_a2dc6_unrelaxed_rank_1_model_1.pdb\n",
            "test_f7da8/test_f7da8_unrelaxed_rank_1_model_1.pdb\n",
            "test_9b4a8/test_9b4a8_unrelaxed_rank_1_model_1.pdb\n",
            "test_d3c9d/test_d3c9d_unrelaxed_rank_1_model_1.pdb\n",
            "test_c459a/test_c459a_unrelaxed_rank_1_model_1.pdb\n",
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            "test_45d42/test_45d42_unrelaxed_rank_1_model_1.pdb\n",
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            "test_60b75/test_60b75_unrelaxed_rank_1_model_1.pdb\n",
            "test_e1276/test_e1276_unrelaxed_rank_1_model_1.pdb\n",
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          ]
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "import numpy as np\n",
        "def preprocess_to_feature_input(filename, label):\n",
        "    with open (filename, \"r\") as myfile:\n",
        "        data = myfile.read().splitlines()\n",
        "\n",
        "    unique_atoms = np.unique([i.split()[0] for i in data] + [i.split()[1] for i in data])\n",
        "    atoms2id ={i:ind for ind, i in enumerate(unique_atoms)}\n",
        "    atoms2id\n",
        "    id2atoms = {ind:i for ind, i in enumerate(unique_atoms)}\n",
        "    deg_temp = np.unique([i.split()[0] for i in data] + [i.split()[1] for i in data], return_counts = True)\n",
        "    atom_degree = {atoms2id[deg_temp[0][i]]:deg_temp[1][i] for i in range(len(deg_temp[0]))}\n",
        "    edges = [[atoms2id[i.split()[0]], atoms2id[i.split()[1]]] for i in data]\n",
        "    bond_length = {str(atoms2id[i.split()[0]])+\"_\" + str(atoms2id[i.split()[1]]):float(i.split()[5][:-1]) for i in data}\n",
        "    id2atomName = {atoms2id[i]: i.split(\":\")[-1] for i in atoms2id}\n",
        "\n",
        "\n",
        "    res = {\"edges\": edges, \"features_degree\": atom_degree, \"bond_length\" : bond_length, \"atomName\":id2atomName, \"id2atoms\":id2atoms, \"target\":label}\n",
        "    np.save(f\"{filename[:-4]}_out.npy\", res)\n",
        "\n",
        "    return res\n",
        "  \n"
      ],
      "metadata": {
        "id": "BXjz-LphS2MW"
      },
      "execution_count": null,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "!pip install graphein"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 1000
        },
        "id": "xuGzE0HeWppW",
        "outputId": "53cdbf93-eb0f-45e8-b3c4-c339cbb57d45"
      },
      "execution_count": null,
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "Looking in indexes: https://pypi.org/simple, https://us-python.pkg.dev/colab-wheels/public/simple/\n",
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            "  Getting requirements to build wheel ... \u001b[?25l\u001b[?25hdone\n",
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            "Building wheels for collected packages: graphein, bioservices, easydev, wget\n",
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            "Installing collected packages: zope.interface, zope.event, urllib3, exceptiongroup, url-normalize, gevent, fonttools, commonmark, colorlog, colorama, cattrs, xmltodict, suds-community, rich, requests-cache, ordered-set, matplotlib, grequests, easydev, wget, rich-click, pyyaml, loguru, deepdiff, bioservices, biopython, biopandas, graphein\n",
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            "    Uninstalling PyYAML-6.0:\n",
            "      Successfully uninstalled PyYAML-6.0\n",
            "Successfully installed biopandas-0.4.1 biopython-1.79 bioservices-1.10.4 cattrs-22.2.0 colorama-0.4.6 colorlog-6.7.0 commonmark-0.9.1 deepdiff-6.2.1 easydev-0.12.0 exceptiongroup-1.0.1 fonttools-4.38.0 gevent-22.10.2 graphein-1.5.2 grequests-0.6.0 loguru-0.6.0 matplotlib-3.5.3 ordered-set-4.1.0 pyyaml-5.4.1 requests-cache-0.9.7 rich-12.6.0 rich-click-1.5.2 suds-community-1.1.2 url-normalize-1.4.3 urllib3-1.25.11 wget-3.2 xmltodict-0.13.0 zope.event-4.5.0 zope.interface-5.5.1\n"
          ]
        },
        {
          "output_type": "display_data",
          "data": {
            "application/vnd.colab-display-data+json": {
              "pip_warning": {
                "packages": [
                  "matplotlib",
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    {
      "cell_type": "code",
      "source": [],
      "metadata": {
        "id": "c-wLf2ULY8AB"
      },
      "execution_count": null,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "## Extract the features of graph from pdb files using graphein and save into numpy dictionary\n",
        "\n",
        "from graphein.protein.graphs import construct_graph\n",
        "from graphein.protein.edges.atomic import add_atomic_edges\n",
        "from graphein.protein.config import ProteinGraphConfig\n",
        "import networkx as nx\n",
        "\n",
        "params_to_change = {\"granularity\": \"atom\", \"edge_construction_functions\": [add_atomic_edges]}\n",
        "\n",
        "config = ProteinGraphConfig(**params_to_change)\n",
        "config.dict()\n",
        "\n",
        "\n",
        "files = os.listdir(\"/content/drive/MyDrive/alphafold_results\")\n",
        "for f in files:\n",
        "    if f[-4:] == \".pdb\":\n",
        "\n",
        "        g = construct_graph(config=config, pdb_path=\"/content/drive/MyDrive/alphafold_results/\" + str(f))\n",
        "        txt_filename = f[:-4] + \".txt\"\n",
        "        print(txt_filename)\n",
        "        nx.write_edgelist(g, txt_filename)\n",
        "        shutil.copy(f[:-4] + \".txt\", \"/content/drive/MyDrive/alphafold_results/\")\n",
        "\n",
        "        f = open(\"/content/drive/MyDrive/alphafold_results/\" + str(f[:10]+\".a3m\"))\n",
        "        fnd = f.readlines()[2]\n",
        "        lbl = df[\"tm\"][df[\"protein_sequence\"]+\"\\n\"==fnd].values[0]\n",
        "        \n",
        "        gh = preprocess_to_feature_input(\"/content/drive/MyDrive/alphafold_results/\"+txt_filename, lbl)\n"
      ],
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    },
    {
      "cell_type": "code",
      "source": [
        "import shutil\n",
        "shutil.copy(filepath+files[0], \"/content\")"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 36
        },
        "id": "jm-4xbKa9vUR",
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      "outputs": [
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            }
          },
          "metadata": {},
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    },
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      "cell_type": "code",
      "source": [
        "seq = []\n",
        "for i in os.listdir('/content'):\n",
        "    if(i[:4]==\"test\"):\n",
        "        f = open(\"/content/\" +i + \"/\" + i + \".a3m\", 'r')\n",
        "        seq.append((f.readlines()[2]))"
      ],
      "metadata": {
        "id": "QkNJHouF-aGE"
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      "execution_count": null,
      "outputs": []
    },
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      "cell_type": "code",
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        "seq[0]"
      ],
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          "height": 53
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        "id": "TtEa7ubmDc42",
        "outputId": "e7793f07-8145-4431-cbd2-4a85ccf85f5b"
      },
      "execution_count": null,
      "outputs": [
        {
          "output_type": "execute_result",
          "data": {
            "text/plain": [
              "'AINQMTKTTIAEQASLQQKALFDQVLPAERYNNALAQSCYLVTAPELGKGEHRVYIAKQDDKPVAAVLEATAPDGYSGAIQLLVGADFNGTVLGTRVTEHHETPGLGDKIELRLSDWITHFAGKKISGADDAHWAVKKDGGDFDQFTGATITPRAVVNAVKRAGLYAQTLPAQLSQLPACG\\n'"
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              "type": "string"
            }
          },
          "metadata": {},
          "execution_count": 49
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "import pandas as pd\n",
        "df = pd.read_csv(\"/content/drive/MyDrive/alphafold_results/train.csv\")\n",
        "df"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 424
        },
        "id": "ruSt-cueCcOf",
        "outputId": "57dbd2ac-feeb-4123-8cd8-1465f7ee5b4d"
      },
      "execution_count": null,
      "outputs": [
        {
          "output_type": "execute_result",
          "data": {
            "text/plain": [
              "       seq_id                                   protein_sequence   pH  \\\n",
              "0           0  AAAAKAAALALLGEAPEVVDIWLPAGWRQPFRVFRLERKGDGVLVG...  7.0   \n",
              "1           1  AAADGEPLHNEEERAGAGQVGRSLPQESEEQRTGSRPRRRRDLGSR...  7.0   \n",
              "2           2  AAAFSTPRATSYRILSSAGSGSTRADAPQVRRLHTTRDLLAKDYYA...  7.0   \n",
              "3           3  AAASGLRTAIPAQPLRHLLQPAPRPCLRPFGLLSVRAGSARRSGLL...  7.0   \n",
              "4           4  AAATKSGPRRQSQGASVRTFTPFYFLVEPVDTLSVRGSSVILNCSA...  7.0   \n",
              "...       ...                                                ...  ...   \n",
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          "metadata": {},
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    {
      "cell_type": "code",
      "source": [
        "df[\"tm\"][df[\"protein_sequence\"]+\"\\n\"==seq[4]].values[0]"
      ],
      "metadata": {
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        },
        "id": "SokHCgPsCy9o",
        "outputId": "4e8674e2-968e-40ac-b1c6-78038b1840f6"
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      "outputs": [
        {
          "output_type": "execute_result",
          "data": {
            "text/plain": [
              "41.3"
            ]
          },
          "metadata": {},
          "execution_count": 58
        }
      ]
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      "source": [
        "df[\"protein_sequence\"][0]"
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        "id": "5VF2rocXCmM7",
        "outputId": "ef296538-3685-4f58-e186-0fcbce96faad"
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          "data": {
            "text/plain": [
              "'AAAAKAAALALLGEAPEVVDIWLPAGWRQPFRVFRLERKGDGVLVGMIKDAGDDPDVTHGAEIQAFVRFASEDRLEGGEGVGVVTKPGLGVPVGEPAINPVPRRMIWEAVREVTERPLAVTIAIPGGEELAKKTLNPRLGILGGLSVLGTTGVVKPYSTSAFRMSVVQAVGVARANGLLEIAATTGGKSERFAQRLLPHLPEMAFIEMGDFVGDVLRAARKVGVEVVRVVGMIGKISKMADGKTMTHAAGGEVNLSLLLSLLKEAGASPKALKEAEGAATARRFLEIALEEGLELFFVNLVRLAQEKLQAYIGERPFVSVALTDFDEGRCLAAWPDREVYR'"
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          "metadata": {},
          "execution_count": 32
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    {
      "cell_type": "code",
      "source": [
        "seq[0]"
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      "outputs": [
        {
          "output_type": "execute_result",
          "data": {
            "text/plain": [
              "'AINQMTKTTIAEQASLQQKALFDQVLPAERYNNALAQSCYLVTAPELGKGEHRVYIAKQDDKPVAAVLEATAPDGYSGAIQLLVGADFNGTVLGTRVTEHHETPGLGDKIELRLSDWITHFAGKKISGADDAHWAVKKDGGDFDQFTGATITPRAVVNAVKRAGLYAQTLPAQLSQLPACG\\n'"
            ],
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              "type": "string"
            }
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          "metadata": {},
          "execution_count": 33
        }
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}