update
This commit is contained in:
37
test.py
37
test.py
@@ -258,6 +258,43 @@ for p in ax.patches:
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plt.savefig('/mnt/mydrive/analysis_pdb-dev/polymeric_states_distribution.svg', format='svg')
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plt.savefig('/mnt/mydrive/analysis_pdb-dev/polymeric_states_distribution.svg', format='svg')
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from analysis_pdb import PDBAnalyzer
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import requests
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for i in multimer_pdbid:
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url = f"https://www.rcsb.org/fasta/entry/{i.upper()}"
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response = requests.get(url)
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output_file = Path('multi') / f"{i}.fasta"
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if output_file.exists():
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continue
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if response.status_code == 200:
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with open(output_file, 'w') as file:
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file.write(response.text)
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if not output_file.exists():
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raise Exception(f"Failed to download FASTA file for PDB ID {i}")
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else:
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raise Exception(f"Failed to download FASTA file for PDB ID {i}")
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for i in multimer_pdbid:
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shutil.copy(Path('fixed') / f'{i}.pdb', Path('multi_pdb')/ f'{i}.pdb')
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for i in single_pdbid:
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url = f"https://www.rcsb.org/fasta/entry/{i.upper()}"
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response = requests.get(url)
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output_file = Path('single') / f"{i}.fasta"
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if output_file.exists():
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continue
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if response.status_code == 200:
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with open(output_file, 'w') as file:
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file.write(response.text)
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if not output_file.exists():
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raise Exception(f"Failed to download FASTA file for PDB ID {i}")
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else:
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raise Exception(f"Failed to download FASTA file for PDB ID {i}")
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for i in single_pdbid:
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shutil.copy(Path('fixed') / f'{i}.pdb', Path('single_pdb')/ f'{i}.pdb')
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from pymol import cmd
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cmd.fetch('4ozi', type='pdb')
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