# HG changeset patch
# User bgruening
# Date 1584993345 0
# Node ID 5981893078adf6eb7375a4a50fd5b73d3f60c696
# Parent  d84dc786ccb992048493845e89e9589f98f8d556
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit a03b1b7b283901a1510562f1e6eba41f70afaac4"

diff -r d84dc786ccb9 -r 5981893078ad sdf_to_tab.py
--- a/sdf_to_tab.py	Sat Mar 21 18:01:47 2020 +0000
+++ b/sdf_to_tab.py	Mon Mar 23 19:55:45 2020 +0000
@@ -26,7 +26,8 @@
             print("Molecule could not be read - skipped.")
 
     df = df.astype({'Index': int}).set_index('Index')
-    df.to_csv(vars.out, sep='\t', header=vars.header)
+    sorted_cols = sorted(df.columns.values.tolist())
+    df.to_csv(vars.out, sep='\t', header=vars.header, columns=sorted_cols)
 
 def main():
     parser = argparse.ArgumentParser(description="Convert SDF to tabular")