Merge branch 'clluke'

conflict resolved

DRprotein_demo.py

 #Input, Output and Logfiles
 problemName = '1PTQ'
-inputFile   = 'inputdata/1PTQ.pdb' #in InputFiles directory
+inputFile   = 'InputData/1PTQ.pdb' #in InputFiles directory
 outputFile  = '1PTQrecon.pdb'
 
 #Parameters used by all variants of the algorithm