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Version 0.2.1dev
Changes
amino3to1
method ofbiopandas.pdb.PandasPDB
objects now returns a pandasDataFrame
instead of a pandasSeries
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.distance
method of bothPandasPdb
andPandasMol2
(now about 300 percent faster than previously).Bug Fixes
amino3to1
method ofbiopandas.pdb.PandasPDB
objects now handles multi-chain proteins correctly.amino3to1
method ofbiopandas.pdb.PandasPDB
objects now also works as expected if the'ATOM'
entry DataFrame contains disordered DataFrame indices or duplicate DataFrame index values.