| Previous changeset 5:1cf3bab54ddd (2020-03-21) Next changeset 7:cf725c82c865 (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 1cf3bab54ddd -r d68bf44e1f5c sdf_to_tab.py --- a/sdf_to_tab.py Sat Mar 21 14:04:00 2020 -0400 +++ b/sdf_to_tab.py Mon Mar 23 15:58:09 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") |