v0.3.2 - 2021-06-11

[0.3.2] - 2021-06-11

Added

• LigNetwork: an interaction diagram with atomistic details for the ligand and
  residue-level details for the protein, fully interactive in a browser/notebook, inspired
  from LigPlot (PR #19)
• fp.generate: a method to get the IFP between two prolif.Molecule objects (PR #19)

Changed

• Default residue name and number: UNK and 0 are now the default values if None or
  '' is given
• The Hydrophobic interaction now uses +0 (no charge) instead of !$([+{1-},-{1-}])
  (not negatively or positively charged) for part of its SMARTS pattern (PR #19)
• Moved the return_atoms parameter from the run methods to to_dataframe to avoid
  recalculating the IFP if one wants to display it with atomic details (PR #19)
• Changed the values returned by fp.bitvector_atoms: the atom indices have been
  separated in two lists, one for the ligand and one for the protein (PR #19)

Fixed

• Residues with a resnumber of 0 are not converted to None anymore (Issue #13)