Backported PROPKA code base to Python2.
Now this same code can be run with either Python2.7 or Python3.
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committed by
Mike Beachy
parent
2aaf2d3a48
commit
cfab0bbe69
@@ -4,6 +4,7 @@
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from subprocess import call
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import os, re
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import sys
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pdbs = ['1FTJ-Chain-A',
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'1HPX',
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@@ -14,7 +15,7 @@ for pdb in pdbs:
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print('RUNNING '+pdb)
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# Run pka calculation
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call(['../propka.py','pdb/'+pdb+'.pdb'], stdout = open(pdb+'.out', 'w+'))
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call([sys.executable, '../propka.py','pdb/'+pdb+'.pdb'], stdout = open(pdb+'.out', 'w+'))
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# Test pka predictiona
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result = open('results/'+pdb+'.dat','r')
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