uncommented some debug output for mcsm, pandas and numpy conflict. So temporarily resolved it by running from base env
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3 changed files with 9 additions and 4 deletions
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@ -60,8 +60,12 @@ with open("/home/tanu/git/Data/streptomycin/input/gid_complex.pdb", "rb") as pdb
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failed_muts.close()
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#%%
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def request_calculation(pdb_file, mutation_list, chain, my_email, prediction_url
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#, output_dir, gene_name
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def request_calculation(pdb_file, mutation_list
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, chain
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, my_email
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, prediction_url
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, output_dir
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, gene_name
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, url_file):
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"""
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Makes a POST request for a ligand affinity prediction.
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