v0.2.0 (2017-04-02)

Downloads

• Source code (zip)
• Source code (tar.gz)

New Features

• Added an amino3to1 method to PandasPdb data frames to convert 3-amino acid letter codes to 1-letter codes.
• Added a distance method to PandasPdb data frames to compute the Euclidean distance between atoms and a reference point.
• Added the PandasMol2 class for working with Tripos MOL2 files in pandas DataFrames.

Changes

• PandasPDB was renamed to PandasPdb.
• Raises a warning if PandasPdb is written to PDB and ATOM and HETAM section contains unexpected columns; these columns will now be skipped.

Bug Fixes