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4 changes: 3 additions & 1 deletion opendna.py
Original file line number Diff line number Diff line change
Expand Up @@ -151,7 +151,9 @@ def setup(self):

# copy relevant files to the workDir
os.mkdir(self.workDir + '/outfiles')
copyfile(self.params['leap template'], self.workDir + '/leap_template.in')

if self.params['implicit solvent']:
copyfile(self.params['leap template'], self.workDir + '/leap_template.in')
# copy structure files
copyfile(self.params['analyte pdb'], self.workDir + '/analyte.pdb') # ie, target of the aptamer

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