create fold before read
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4
SIME.py
4
SIME.py
@@ -38,7 +38,9 @@ class SIME:
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self.enumerate_all_sugars = enumerate_all_sugars
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date_stamp = datetime.datetime.utcnow().strftime("%Y-%m-%d-%H-%M-%S")
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self.smile_file_name = 'LIBRARIES/'+date_stamp+'_mcrl'
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libraries_dir = 'LIBRARIES/'
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if not os.path.exists(libraries_dir):
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os.makedirs(libraries_dir)
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self.info_manager = open(self.smile_file_name + '_info','a+')
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self.info_manager.write(f'Desired Library Size (numbers only) : {self.library_size}\n')
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self.info_manager.write(f'Maximum occurrence of the same structural motifs per scaffold (number only) : {self.max_repeat_motifs}\n')
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