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1 parent 0958224 commit b065ffaCopy full SHA for b065ffa
input_files/fixsdf.py
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+import os
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+import subprocess
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+
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+mol2directory = "/Users/guowei/Code/benchmarksets/input_files/cd-set1/mol2/"
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+sdfdirectory= "/Users/guowei/Code/benchmarksets/input_files/cd-set1/newsdf/"
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+for filename in os.listdir(mol2directory):
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+ # print(filename)
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+ command = "convert.py " + mol2directory + filename + " " + sdfdirectory + filename.split(".")[0] + ".sdf"
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+ subprocess.call(command)
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