# HG changeset patch
# User bgruening
# Date 1584993391 0
# Node ID 287e8e0d1e3dbdf9b1f0a405645d7fdc956fe849
# Parent  5f35d8bd62a055d1f5128827b669ae7aec17c955
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit a03b1b7b283901a1510562f1e6eba41f70afaac4"

diff -r 5f35d8bd62a0 -r 287e8e0d1e3d sdf_to_tab.py
--- a/sdf_to_tab.py	Sat Mar 21 18:02:30 2020 +0000
+++ b/sdf_to_tab.py	Mon Mar 23 19:56:31 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")