rasbt/biopandas: v0.2.1 (2017-05-11)

0.2.1 (2017-05-11) Downloads

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• The amino3to1 method of biopandas.pdb.PandasPDB objects now returns a pandas DataFrame instead of a pandas Series object. The returned data frame has two columns, 'chain_id' and 'residue_name', where the former contains the chain ID of the amino acid and the latter contains the 1-letter amino acid code, respectively.
• Significant speed improvements of the distance method of both PandasPdb and PandasMol2 (now about 300 percent faster than previously).

• The amino3to1 method of biopandas.pdb.PandasPDB objects now handles multi-chain proteins correctly.
• The amino3to1 method of biopandas.pdb.PandasPDB objects now also works as expected if the 'ATOM' entry DataFrame contains disordered DataFrame indices or duplicate DataFrame index values.