| Previous changeset 1:3d96dc99698f (2020-03-21) Next changeset 3:36360fa103d6 (2020-07-28) |
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Commit message:
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit a03b1b7b283901a1510562f1e6eba41f70afaac4" |
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modified:
sdf_to_tab.py |
| b |
| diff -r 3d96dc99698f -r 2a868592ebcb sdf_to_tab.py --- a/sdf_to_tab.py Sat Mar 21 14:03:09 2020 -0400 +++ b/sdf_to_tab.py Mon Mar 23 15:57:15 2020 -0400 |
| b |
| @@ -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") |