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hi,
I'm wondering how I can search for PDBIDs using ligand SMILES. For example:
from pypdb import *
#
found_pdbs = Query("Clc1nc(Br)nc2nc[nH]c12").search()
print(found_pdbs[:10])
I'm able to find the PDBID I want using the 'chemical similarity' option on the 'https://www.rcsb.org/' website. However, I'm unable to achieve the same result using the code above. Can you please advise on the appropriate query_type to use in this case?
The text was updated successfully, but these errors were encountered:
hi,
I'm wondering how I can search for PDBIDs using ligand SMILES. For example:
I'm able to find the PDBID I want using the 'chemical similarity' option on the 'https://www.rcsb.org/' website. However, I'm unable to achieve the same result using the code above. Can you please advise on the appropriate query_type to use in this case?
The text was updated successfully, but these errors were encountered: