This commit is contained in:
2024-01-31 16:45:11 +08:00
parent 82a546f57a
commit f47533bd20

37
test.py
View File

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