Commit 7e69ea09 authored by d-alvarez's avatar d-alvarez

sdrmsd fixed output sdf with molecules in same order as input

parent dc6deae1
......@@ -261,7 +261,8 @@ if __name__ == "__main__":
if outlist:
# Threshold applied and outlist need to be written
for docki, molrmsd in outlist.iteritems():
for docki in sorted(outlist.iterkeys()):
molrmsd = outlist[docki]
# Get number of matchs in thresholding operation
pop = population.get(docki)
if not pop: pop = 1
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